3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide

C86H99ClN20O12 — CID 159413643

IUPAC3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(C(=O)N4CCOCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(NC(C)=O)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OC(C)C)c(Cl)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)n2)C1
InChIInChI=1S/C23H27N5O4.C22H24N6O2.C21H25ClN4O3.C20H23N5O3/c1-2-20(29)27-9-3-4-18(14-27)28-15-19(22(24)30)21(25-28)16-5-7-17(8-6-16)23(31)26-10-12-32-13-11-26;1-2-20(29)26-10-6-9-18(14-26)28-15-19(22(23)30)21(25-28)17-11-24-27(13-17)12-16-7-4-3-5-8-16;1-4-19(27)25-9-5-6-15(11-25)26-12-16(21(23)28)20(24-26)14-7-8-18(17(22)10-14)29-13(2)3;1-3-18(27)24-10-4-5-16(11-24)25-12-17(20(21)28)19(23-25)14-6-8-15(9-7-14)22-13(2)26/h2,5-8,15,18H,1,3-4,9-14H2,(H2,24,30);2-5,7-8,11,13,15,18H,1,6,9-10,12,14H2,(H2,23,30);4,7-8,10,12-13,15H,1,5-6,9,11H2,2-3H3,(H2,23,28);3,6-9,12,16H,1,4-5,10-11H2,2H3,(H2,21,28)(H,22,26)/t2*18-;15-;16-/m1111/s1
InChIKeyLOWVTXGFSAPWPX-MQRDTVQHSA-N
MW1640.32 g/mol
LogP9.11
Rot. Bonds22

About 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide

3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 159413643) has the molecular formula C86H99ClN20O12 and a molecular weight of 1640.32 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
PubChem CID159413643
Molecular FormulaC86H99ClN20O12
Molecular Weight1640.32 g/mol
Exact Mass1638.74
IUPAC Name3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(C(=O)N4CCOCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(NC(C)=O)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OC(C)C)c(Cl)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)n2)C1
InChIInChI=1S/C23H27N5O4.C22H24N6O2.C21H25ClN4O3.C20H23N5O3/c1-2-20(29)27-9-3-4-18(14-27)28-15-19(22(24)30)21(25-28)16-5-7-17(8-6-16)23(31)26-10-12-32-13-11-26;1-2-20(29)26-10-6-9-18(14-26)28-15-19(22(23)30)21(25-28)17-11-24-27(13-17)12-16-7-4-3-5-8-16;1-4-19(27)25-9-5-6-15(11-25)26-12-16(21(23)28)20(24-26)14-7-8-18(17(22)10-14)29-13(2)3;1-3-18(27)24-10-4-5-16(11-24)25-12-17(20(21)28)19(23-25)14-6-8-15(9-7-14)22-13(2)26/h2,5-8,15,18H,1,3-4,9-14H2,(H2,24,30);2-5,7-8,11,13,15,18H,1,6,9-10,12,14H2,(H2,23,30);4,7-8,10,12-13,15H,1,5-6,9,11H2,2-3H3,(H2,23,28);3,6-9,12,16H,1,4-5,10-11H2,2H3,(H2,21,28)(H,22,26)/t2*18-;15-;16-/m1111/s1
InChIKeyLOWVTXGFSAPWPX-MQRDTVQHSA-N
XLogP9.11
TPSA410.57 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001640.32
LogP ≤ 59.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[4-carbamoyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazol-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide;3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 159965701
2-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[2-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-oxoethyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-phenylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-3-phenylpropan-1-one;1-[4-(1-methylpyrazol-4-yl)-2-propan-2-yloxyphenyl]-2-pyridin-4-ylethanone
CID 160183551
3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-fluoro-4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-methoxy-4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 157488021
3-[4-(4-chlorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(4-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 158002117
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-fluoro-4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-methoxy-4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 159996204
1-[(3R)-3-[2-[2-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]acetyl]-5-(1-methylpyrazol-4-yl)phenoxy]piperidin-1-yl]prop-2-en-1-one;2-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[4-(1-methylpyrazol-4-yl)-2-[(3R)-piperidin-3-yl]oxyphenyl]ethanone;1-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-(2-phenylacetyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(1-methylpyrazol-4-yl)-2-[(3R)-piperidin-3-yl]oxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-[(3R)-1-prop-2-enoylpiperidin-3-yl]oxyphenyl]-3-phenylpropan-1-one
CID 160160295
3-[4-(2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(2-methoxyethoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-(4-morpholin-4-ylbut-2-ynoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;3-[4-(piperidine-1-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 161245511
3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide
CID 161464158
(7S)-7-(1-but-2-ynoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpyrrolidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162232775

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide (CID 159413643) is 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide is C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(C(=O)N4CCOCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(NC(C)=O)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OC(C)C)c(Cl)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)n2)C1.
What is the InChIKey of 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is LOWVTXGFSAPWPX-MQRDTVQHSA-N. The full InChI is InChI=1S/C23H27N5O4.C22H24N6O2.C21H25ClN4O3.C20H23N5O3/c1-2-20(29)27-9-3-4-18(14-27)28-15-19(22(24)30)21(25-28)16-5-7-17(8-6-16)23(31)26-10-12-32-13-11-26;1-2-20(29)26-10-6-9-18(14-26)28-15-19(22(23)30)21(25-28)17-11-24-27(13-17)12-16-7-4-3-5-8-16;1-4-19(27)25-9-5-6-15(11-25)26-12-16(21(23)28)20(24-26)14-7-8-18(17(22)10-14)29-13(2)3;1-3-18(27)24-10-4-5-16(11-24)25-12-17(20(21)28)19(23-25)14-6-8-15(9-7-14)22-13(2)26/h2,5-8,15,18H,1,3-4,9-14H2,(H2,24,30);2-5,7-8,11,13,15,18H,1,6,9-10,12,14H2,(H2,23,30);4,7-8,10,12-13,15H,1,5-6,9,11H2,2-3H3,(H2,23,28);3,6-9,12,16H,1,4-5,10-11H2,2H3,(H2,21,28)(H,22,26)/t2*18-;15-;16-/m1111/s1.
What are the key properties of 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide?
3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 1640.32 g/mol, XLogP of 9.11, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(1-benzylpyrazol-4-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(morpholine-4-carbonyl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 159413643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).