N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide

C19H31N5O3 — CID 155913923

IUPACN-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide
SMILESCc1nn(C)c(C(=O)N[C@@H]2C[C@H](C(=O)NCCN3CCCC3)C[C@H]2O)c1C
InChIInChI=1S/C19H31N5O3/c1-12-13(2)22-23(3)17(12)19(27)21-15-10-14(11-16(15)25)18(26)20-6-9-24-7-4-5-8-24/h14-16,25H,4-11H2,1-3H3,(H,20,26)(H,21,27)/t14-,15+,16+/m0/s1
InChIKeyHWIBMZCWWOPAPH-ARFHVFGLSA-N
MW377.49 g/mol
LogP0.12
Rot. Bonds6

About N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide

N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide (PubChem CID 155913923) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide
PubChem CID155913923
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide
SMILESCc1nn(C)c(C(=O)N[C@@H]2C[C@H](C(=O)NCCN3CCCC3)C[C@H]2O)c1C
InChIInChI=1S/C19H31N5O3/c1-12-13(2)22-23(3)17(12)19(27)21-15-10-14(11-16(15)25)18(26)20-6-9-24-7-4-5-8-24/h14-16,25H,4-11H2,1-3H3,(H,20,26)(H,21,27)/t14-,15+,16+/m0/s1
InChIKeyHWIBMZCWWOPAPH-ARFHVFGLSA-N
XLogP0.12
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,3R,4R)-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-[(2-piperidin-1-ylacetyl)amino]cyclopentane-1-carboxamide
CID 163318940
1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
CID 156584290
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19480855
3-chloro-N-[(1S,2S,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide;formic acid
CID 163340514
N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119069534
N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 163304674
6-methyl-N-(2-piperidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 173159505
1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46396137
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91960276
1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
CID 118788228
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
6-acetyl-N-(2-pyrrolidin-1-ylethyl)cyclohexene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide (CID 155913923) is N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide is Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C(=O)NCCN3CCCC3)C[C@H]2O)c1C.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide?
The InChIKey is HWIBMZCWWOPAPH-ARFHVFGLSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-12-13(2)22-23(3)17(12)19(27)21-15-10-14(11-16(15)25)18(26)20-6-9-24-7-4-5-8-24/h14-16,25H,4-11H2,1-3H3,(H,20,26)(H,21,27)/t14-,15+,16+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide?
N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclopentyl]-2,4,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 155913923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).