N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide

C16H19N3O2 — CID 62518947

IUPACN-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H19N3O2/c20-11-16(8-4-5-9-16)18-15(21)13-10-17-19-14(13)12-6-2-1-3-7-12/h1-3,6-7,10,20H,4-5,8-9,11H2,(H,17,19)(H,18,21)
InChIKeyMAVCBOHJVOHKDU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 62518947) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID62518947
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H19N3O2/c20-11-16(8-4-5-9-16)18-15(21)13-10-17-19-14(13)12-6-2-1-3-7-12/h1-3,6-7,10,20H,4-5,8-9,11H2,(H,17,19)(H,18,21)
InChIKeyMAVCBOHJVOHKDU-UHFFFAOYSA-N
XLogP2.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 80712390
N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
CID 63108494
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 60511818
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103
5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
CID 28948764
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 25342036
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 62520732

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 62518947) is N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NC1(CO)CCCC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is MAVCBOHJVOHKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-11-16(8-4-5-9-16)18-15(21)13-10-17-19-14(13)12-6-2-1-3-7-12/h1-3,6-7,10,20H,4-5,8-9,11H2,(H,17,19)(H,18,21).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62518947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).