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

C73H73ClFN13O10 — CID 159996204

IUPAC3-[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
SMILESC=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OCc4ccccn4)c(Cl)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)c(F)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)c(OC)c3)n2)C1
InChIInChI=1S/C25H26N4O4.C24H24ClN5O3.C24H23FN4O3/c1-3-23(30)28-13-7-8-18(15-28)29-16-20(25(26)31)24(27-29)17-11-12-21(22(14-17)32-2)33-19-9-5-4-6-10-19;1-2-22(31)29-11-5-7-18(13-29)30-14-19(24(26)32)23(28-30)16-8-9-21(20(25)12-16)33-15-17-6-3-4-10-27-17;1-2-22(30)28-12-6-7-17(14-28)29-15-19(24(26)31)23(27-29)16-10-11-21(20(25)13-16)32-18-8-4-3-5-9-18/h3-6,9-12,14,16,18H,1,7-8,13,15H2,2H3,(H2,26,31);2-4,6,8-10,12,14,18H,1,5,7,11,13,15H2,(H2,26,32);2-5,8-11,13,15,17H,1,6-7,12,14H2,(H2,26,31)/t2*18-;17-/m111/s1
InChIKeyOHONPALEMUIEBZ-HHGQMBHMSA-N
MW1346.92 g/mol
LogP11.36
Rot. Bonds20

About 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

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 (PubChem CID 159996204) has the molecular formula C73H73ClFN13O10 and a molecular weight of 1346.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159996204
Molecular FormulaC73H73ClFN13O10
Molecular Weight1346.92 g/mol
Exact Mass1345.53
IUPAC Name3-[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
SMILESC=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OCc4ccccn4)c(Cl)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)c(F)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)c(OC)c3)n2)C1
InChIInChI=1S/C25H26N4O4.C24H24ClN5O3.C24H23FN4O3/c1-3-23(30)28-13-7-8-18(15-28)29-16-20(25(26)31)24(27-29)17-11-12-21(22(14-17)32-2)33-19-9-5-4-6-10-19;1-2-22(31)29-11-5-7-18(13-29)30-14-19(24(26)32)23(28-30)16-8-9-21(20(25)12-16)33-15-17-6-3-4-10-27-17;1-2-22(30)28-12-6-7-17(14-28)29-15-19(24(26)31)23(27-29)16-10-11-21(20(25)13-16)32-18-8-4-3-5-9-18/h3-6,9-12,14,16,18H,1,7-8,13,15H2,2H3,(H2,26,31);2-4,6,8-10,12,14,18H,1,5,7,11,13,15H2,(H2,26,32);2-5,8-11,13,15,17H,1,6-7,12,14H2,(H2,26,31)/t2*18-;17-/m111/s1
InChIKeyOHONPALEMUIEBZ-HHGQMBHMSA-N
XLogP11.36
TPSA293.47 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.92
LogP ≤ 511.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

US10138229, Example 21
CID 73052908
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
3-[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
CID 123843536
3-[4-chloro-3-(2-methoxyethoxy)phenyl]-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-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 157345802
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
1-[3-[7-(2-Aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)cyclohexa-2,4-dien-1-yl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(3-methoxy-2-propoxyphenoxy)phenyl]-7-propoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 158245490
N,N-dibutyl-1-[4-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-(3,4-dimethoxyphenyl)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-isoquinolin-5-ylphenyl]-5-methylpyrazole-3-carboxamide
CID 159018206
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
3-(3-chloro-4-phenoxyphenyl)-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 159432437
3-[4-(4-chlorophenoxy)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 160020085
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OCc4ccccn4)c(Cl)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)c(F)c3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)c(OC)c3)n2)C1.
What is the InChIKey of 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?
The InChIKey is OHONPALEMUIEBZ-HHGQMBHMSA-N. The full InChI is InChI=1S/C25H26N4O4.C24H24ClN5O3.C24H23FN4O3/c1-3-23(30)28-13-7-8-18(15-28)29-16-20(25(26)31)24(27-29)17-11-12-21(22(14-17)32-2)33-19-9-5-4-6-10-19;1-2-22(31)29-11-5-7-18(13-29)30-14-19(24(26)32)23(28-30)16-8-9-21(20(25)12-16)33-15-17-6-3-4-10-27-17;1-2-22(30)28-12-6-7-17(14-28)29-15-19(24(26)31)23(27-29)16-10-11-21(20(25)13-16)32-18-8-4-3-5-9-18/h3-6,9-12,14,16,18H,1,7-8,13,15H2,2H3,(H2,26,31);2-4,6,8-10,12,14,18H,1,5,7,11,13,15H2,(H2,26,32);2-5,8-11,13,15,17H,1,6-7,12,14H2,(H2,26,31)/t2*18-;17-/m111/s1.
What are the key properties of 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?
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 has a molecular weight of 1346.92 g/mol, XLogP of 11.36, 20 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159996204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).