1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

C91H110N24O11 — CID 160590717

IUPAC1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(OC)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(OC)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/3C23H28N6O3.C22H26N6O2/c1-25-15-23(9-11-28(12-10-23)13-16-3-7-18(32-2)8-4-16)29-14-19(20(24)30)21(27-29)26-22(31)17-5-6-17;1-25-15-23(8-10-28(11-9-23)13-16-4-3-5-18(12-16)32-2)29-14-19(20(24)30)21(27-29)26-22(31)17-6-7-17;1-25-15-23(9-11-28(12-10-23)13-17-5-3-4-6-19(17)32-2)29-14-18(20(24)30)21(27-29)26-22(31)16-7-8-16;1-24-15-22(9-11-27(12-10-22)13-16-5-3-2-4-6-16)28-14-18(19(23)29)20(26-28)25-21(30)17-7-8-17/h3-4,7-8,14,17H,5-6,9-13,15H2,2H3,(H2,24,30)(H,26,27,31);3-5,12,14,17H,6-11,13,15H2,2H3,(H2,24,30)(H,26,27,31);3-6,14,16H,7-13,15H2,2H3,(H2,24,30)(H,26,27,31);2-6,14,17H,7-13,15H2,(H2,23,29)(H,25,26,30)
InChIKeyRCZAJDYRTHYFEK-UHFFFAOYSA-N
MW1716.04 g/mol
LogP8.99
Rot. Bonds31

About 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 160590717) has the molecular formula C91H110N24O11 and a molecular weight of 1716.04 g/mol. Its IUPAC name is 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID160590717
Molecular FormulaC91H110N24O11
Molecular Weight1716.04 g/mol
Exact Mass1714.88
IUPAC Name1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(OC)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(OC)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/3C23H28N6O3.C22H26N6O2/c1-25-15-23(9-11-28(12-10-23)13-16-3-7-18(32-2)8-4-16)29-14-19(20(24)30)21(27-29)26-22(31)17-5-6-17;1-25-15-23(8-10-28(11-9-23)13-16-4-3-5-18(12-16)32-2)29-14-19(20(24)30)21(27-29)26-22(31)17-6-7-17;1-25-15-23(9-11-28(12-10-23)13-17-5-3-4-6-19(17)32-2)29-14-18(20(24)30)21(27-29)26-22(31)16-7-8-16;1-24-15-22(9-11-27(12-10-22)13-16-5-3-2-4-6-16)28-14-18(19(23)29)20(26-28)25-21(30)17-7-8-17/h3-4,7-8,14,17H,5-6,9-13,15H2,2H3,(H2,24,30)(H,26,27,31);3-5,12,14,17H,6-11,13,15H2,2H3,(H2,24,30)(H,26,27,31);3-6,14,16H,7-13,15H2,2H3,(H2,24,30)(H,26,27,31);2-6,14,17H,7-13,15H2,(H2,23,29)(H,25,26,30)
InChIKeyRCZAJDYRTHYFEK-UHFFFAOYSA-N
XLogP8.99
TPSA418.13 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001716.04
LogP ≤ 58.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[1-[(2-Bromophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(3-bromophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 157467046
3-(Cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 159397176
3-(Cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 160253581
1-[1-[(2-Bromophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(3-bromophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 161703409
3-(Cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 162090930
1-[1-[[4-[3-[[2-[[4-Carbamoyl-1-[4-(cyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamoyl]cyclopropyl]methoxy]phenyl]phenyl]methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 132101707
N-[(E)-1-amino-2-carbamoyl-3-[[4-(cyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]amino]prop-2-enylidene]cyclopropanecarboxamide;1-[4-(cyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 145394449
3-(Cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 158225613
1-[(3R,4R)-1-benzyl-3-fluoro-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3S,4R)-1-benzyl-3-fluoro-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(3-chloro-4-phenylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 158849870
1-[4-(cyanomethyl)-1-[(4-ethynylphenyl)methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate
CID 159484781
1-[1-Benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 159806445
3-(Cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 160848480

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 160590717) is 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(OC)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(OC)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccccc2OC)CC1.
What is the InChIKey of 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is RCZAJDYRTHYFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H28N6O3.C22H26N6O2/c1-25-15-23(9-11-28(12-10-23)13-16-3-7-18(32-2)8-4-16)29-14-19(20(24)30)21(27-29)26-22(31)17-5-6-17;1-25-15-23(8-10-28(11-9-23)13-16-4-3-5-18(12-16)32-2)29-14-19(20(24)30)21(27-29)26-22(31)17-6-7-17;1-25-15-23(9-11-28(12-10-23)13-17-5-3-4-6-19(17)32-2)29-14-18(20(24)30)21(27-29)26-22(31)16-7-8-16;1-24-15-22(9-11-27(12-10-22)13-16-5-3-2-4-6-16)28-14-18(19(23)29)20(26-28)25-21(30)17-7-8-17/h3-4,7-8,14,17H,5-6,9-13,15H2,2H3,(H2,24,30)(H,26,27,31);3-5,12,14,17H,6-11,13,15H2,2H3,(H2,24,30)(H,26,27,31);3-6,14,16H,7-13,15H2,2H3,(H2,24,30)(H,26,27,31);2-6,14,17H,7-13,15H2,(H2,23,29)(H,25,26,30).
What are the key properties of 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 1716.04 g/mol, XLogP of 8.99, 31 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 160590717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).