3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

C65H73N15O7 — CID 159020921

IUPAC3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(-n4nc(C)cc4C)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(N4CCCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc4occc4c3)n2)C1
InChIInChI=1S/C23H26N6O2.C22H27N5O2.C20H20N4O3/c1-4-21(30)27-11-5-6-19(13-27)28-14-20(23(24)31)22(26-28)17-7-9-18(10-8-17)29-16(3)12-15(2)25-29;1-2-20(28)26-13-5-6-18(14-26)27-15-19(22(23)29)21(24-27)16-7-9-17(10-8-16)25-11-3-4-12-25;1-2-18(25)23-8-3-4-15(11-23)24-12-16(20(21)26)19(22-24)14-5-6-17-13(10-14)7-9-27-17/h4,7-10,12,14,19H,1,5-6,11,13H2,2-3H3,(H2,24,31);2,7-10,15,18H,1,3-6,11-14H2,(H2,23,29);2,5-7,9-10,12,15H,1,3-4,8,11H2,(H2,21,26)/t19-;18-;15-/m111/s1
InChIKeyJTRLNNCQHBBBAC-JIUQBTFNSA-N
MW1176.40 g/mol
LogP8.14
Rot. Bonds14

About 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide (PubChem CID 159020921) has the molecular formula C65H73N15O7 and a molecular weight of 1176.40 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
PubChem CID159020921
Molecular FormulaC65H73N15O7
Molecular Weight1176.40 g/mol
Exact Mass1175.58
IUPAC Name3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(-n4nc(C)cc4C)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(N4CCCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc4occc4c3)n2)C1
InChIInChI=1S/C23H26N6O2.C22H27N5O2.C20H20N4O3/c1-4-21(30)27-11-5-6-19(13-27)28-14-20(23(24)31)22(26-28)17-7-9-18(10-8-17)29-16(3)12-15(2)25-29;1-2-20(28)26-13-5-6-18(14-26)27-15-19(22(23)29)21(24-27)16-7-9-17(10-8-16)25-11-3-4-12-25;1-2-18(25)23-8-3-4-15(11-23)24-12-16(20(21)26)19(22-24)14-5-6-17-13(10-14)7-9-27-17/h4,7-10,12,14,19H,1,5-6,11,13H2,2-3H3,(H2,24,31);2,7-10,15,18H,1,3-6,11-14H2,(H2,23,29);2,5-7,9-10,12,15H,1,3-4,8,11H2,(H2,21,26)/t19-;18-;15-/m111/s1
InChIKeyJTRLNNCQHBBBAC-JIUQBTFNSA-N
XLogP8.14
TPSA277.86 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001176.40
LogP ≤ 58.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(1-prop-2-enoylpiperidin-3-yl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 123338652
3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73052743
methane;3-[4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 160625479
3-[4-(3-methylsulfonylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73051017
3-[4-(3-chlorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
CID 123381274
1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-4-carboxamide
CID 73051164
3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73052906
3-(3-fluoro-4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73053055
3-[4-(4-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(4-methylsulfonylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-4-carboxamide
CID 159578549
(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920
3-[4-(3-chlorophenoxy)phenyl]-N-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
CID 144571750
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158560

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide (CID 159020921) is 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide is C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(-n4nc(C)cc4C)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(N4CCCC4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc4occc4c3)n2)C1.
What is the InChIKey of 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is JTRLNNCQHBBBAC-JIUQBTFNSA-N. The full InChI is InChI=1S/C23H26N6O2.C22H27N5O2.C20H20N4O3/c1-4-21(30)27-11-5-6-19(13-27)28-14-20(23(24)31)22(26-28)17-7-9-18(10-8-17)29-16(3)12-15(2)25-29;1-2-20(28)26-13-5-6-18(14-26)27-15-19(22(23)29)21(24-27)16-7-9-17(10-8-16)25-11-3-4-12-25;1-2-18(25)23-8-3-4-15(11-23)24-12-16(20(21)26)19(22-24)14-5-6-17-13(10-14)7-9-27-17/h4,7-10,12,14,19H,1,5-6,11,13H2,2-3H3,(H2,24,31);2,7-10,15,18H,1,3-6,11-14H2,(H2,23,29);2,5-7,9-10,12,15H,1,3-4,8,11H2,(H2,21,26)/t19-;18-;15-/m111/s1.
What are the key properties of 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 1176.40 g/mol, XLogP of 8.14, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 159020921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).