N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide

C27H39N5O4 — CID 129204538

IUPACN-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1cccc(OC)c1-c1cc(C(=O)NC(CCN2CCCCC2)CC(N)=O)nn1C1CCCC1
InChIInChI=1S/C27H39N5O4/c1-35-23-11-8-12-24(36-2)26(23)22-18-21(30-32(22)20-9-4-5-10-20)27(34)29-19(17-25(28)33)13-16-31-14-6-3-7-15-31/h8,11-12,18-20H,3-7,9-10,13-17H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyYJVWGGZHVLEBJW-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.53
Rot. Bonds11

About N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide

N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide (PubChem CID 129204538) has the molecular formula C27H39N5O4 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
PubChem CID129204538
Molecular FormulaC27H39N5O4
Molecular Weight497.64 g/mol
Exact Mass497.30
IUPAC NameN-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1cccc(OC)c1-c1cc(C(=O)NC(CCN2CCCCC2)CC(N)=O)nn1C1CCCC1
InChIInChI=1S/C27H39N5O4/c1-35-23-11-8-12-24(36-2)26(23)22-18-21(30-32(22)20-9-4-5-10-20)27(34)29-19(17-25(28)33)13-16-31-14-6-3-7-15-31/h8,11-12,18-20H,3-7,9-10,13-17H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyYJVWGGZHVLEBJW-UHFFFAOYSA-N
XLogP3.53
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-morpholin-4-ylpentanoic acid;hydrochloride
CID 164615607
5-(2-chloro-6-methoxyphenyl)-N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentylpyrazole-3-carboxamide
CID 129226767
N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
CID 164942956
N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
CID 145329481
N-[(3S)-1-(cyclobutylamino)-5-(2,6-dimethylpiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
CID 129226285
N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylcyclopentyl)pyrazole-3-carboxamide;N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2,3-dimethylcyclopentyl)pyrazole-3-carboxamide;hydrochloride
CID 159230686
3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]pent-4-enoic acid
CID 129220365
methyl 2-[[3-[[1-cyclooctyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-methylhexanoyl]amino]acetate
CID 146176362
N-[(3S)-1-amino-5-cyclohexyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carboxamide
CID 118569027
(2S)-2-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-4-phenylbutanoic acid
CID 129226509
N-[1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 164942954
(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-propylpyrazole-3-carbonyl]amino]pentanoic acid
CID 129226897

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide (CID 129204538) is N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide is COc1cccc(OC)c1-c1cc(C(=O)NC(CCN2CCCCC2)CC(N)=O)nn1C1CCCC1.
What is the InChIKey of N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is YJVWGGZHVLEBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O4/c1-35-23-11-8-12-24(36-2)26(23)22-18-21(30-32(22)20-9-4-5-10-20)27(34)29-19(17-25(28)33)13-16-31-14-6-3-7-15-31/h8,11-12,18-20H,3-7,9-10,13-17H2,1-2H3,(H2,28,33)(H,29,34).
What are the key properties of N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?
N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-5-piperidin-1-ylpentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 129204538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).