N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

C23H32N4O — CID 95840522

IUPACN-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc([C@@H]2CCCCN2CCCc2ccccc2)[nH]n1
InChIInChI=1S/C23H32N4O/c28-23(24-19-12-4-5-13-19)21-17-20(25-26-21)22-14-6-7-15-27(22)16-8-11-18-9-2-1-3-10-18/h1-3,9-10,17,19,22H,4-8,11-16H2,(H,24,28)(H,25,26)/t22-/m0/s1
InChIKeyUCXRTMZOGVNORI-QFIPXVFZSA-N
MW380.54 g/mol
LogP4.24
Rot. Bonds7

About N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 95840522) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID95840522
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc([C@@H]2CCCCN2CCCc2ccccc2)[nH]n1
InChIInChI=1S/C23H32N4O/c28-23(24-19-12-4-5-13-19)21-17-20(25-26-21)22-14-6-7-15-27(22)16-8-11-18-9-2-1-3-10-18/h1-3,9-10,17,19,22H,4-8,11-16H2,(H,24,28)(H,25,26)/t22-/m0/s1
InChIKeyUCXRTMZOGVNORI-QFIPXVFZSA-N
XLogP4.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-benzylpiperidin-2-yl)-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110268851
morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
CID 95840524
N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965
N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
N-cyclopentyl-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268950
N-cyclopentyl-5-[(2S)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 124978722
5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 126824398
N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95805982
N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125021653
N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26351057
N-cyclopentyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109273948

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 95840522) is N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2CCCc2ccccc2)[nH]n1.
What is the InChIKey of N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is UCXRTMZOGVNORI-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N4O/c28-23(24-19-12-4-5-13-19)21-17-20(25-26-21)22-14-6-7-15-27(22)16-8-11-18-9-2-1-3-10-18/h1-3,9-10,17,19,22H,4-8,11-16H2,(H,24,28)(H,25,26)/t22-/m0/s1.
What are the key properties of N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95840522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).