N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide

C16H19N3O3 — CID 98783386

IUPACN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c20-9-11-6-12(7-15(11)21)17-16(22)14-8-13(18-19-14)10-4-2-1-3-5-10/h1-5,8,11-12,15,20-21H,6-7,9H2,(H,17,22)(H,18,19)/t11-,12-,15-/m0/s1
InChIKeyUZYPTTZDNVZLMP-HUBLWGQQSA-N
MW301.35 g/mol
LogP0.94
Rot. Bonds4

About N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 98783386) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID98783386
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c20-9-11-6-12(7-15(11)21)17-16(22)14-8-13(18-19-14)10-4-2-1-3-5-10/h1-5,8,11-12,15,20-21H,6-7,9H2,(H,17,22)(H,18,19)/t11-,12-,15-/m0/s1
InChIKeyUZYPTTZDNVZLMP-HUBLWGQQSA-N
XLogP0.94
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 114630661
cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678002
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
cis-(1S,3R)-3-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677069
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74237167
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 98783386) is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is UZYPTTZDNVZLMP-HUBLWGQQSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-9-11-6-12(7-15(11)21)17-16(22)14-8-13(18-19-14)10-4-2-1-3-5-10/h1-5,8,11-12,15,20-21H,6-7,9H2,(H,17,22)(H,18,19)/t11-,12-,15-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 98783386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).