5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide

C18H21N3O2 — CID 111661499

IUPAC5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2C=C[C@H](CO)C2)cnn1-c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-17-16(11-19-21(17)15-6-4-3-5-7-15)18(23)20-14-9-8-13(10-14)12-22/h3-9,11,13-14,22H,2,10,12H2,1H3,(H,20,23)/t13-,14+/m0/s1
InChIKeyYOCPAQQBYWBBOK-UONOGXRCSA-N
MW311.38 g/mol
LogP2.10
Rot. Bonds5

About 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide

5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 111661499) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID111661499
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2C=C[C@H](CO)C2)cnn1-c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-17-16(11-19-21(17)15-6-4-3-5-7-15)18(23)20-14-9-8-13(10-14)12-22/h3-9,11,13-14,22H,2,10,12H2,1H3,(H,20,23)/t13-,14+/m0/s1
InChIKeyYOCPAQQBYWBBOK-UONOGXRCSA-N
XLogP2.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N-benzyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850356
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 33948385
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
1-(4-fluorophenyl)-N-heptan-3-yl-5-methylpyrazole-4-carboxamide
CID 44327060
N-ethyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 5193829
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 34244817
N-cyclopentyl-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 16023239
1-(2,4-difluorophenyl)-N-(3-methoxypropyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 16023243

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide (CID 111661499) is 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)N[C@@H]2C=C[C@H](CO)C2)cnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is YOCPAQQBYWBBOK-UONOGXRCSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-17-16(11-19-21(17)15-6-4-3-5-7-15)18(23)20-14-9-8-13(10-14)12-22/h3-9,11,13-14,22H,2,10,12H2,1H3,(H,20,23)/t13-,14+/m0/s1.
What are the key properties of 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide?
5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 111661499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).