1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide

C12H17N3O2 — CID 102548381

IUPAC1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCC1CO1)c1ccn(C2CCCC2)n1
InChIInChI=1S/C12H17N3O2/c16-12(13-7-10-8-17-10)11-5-6-15(14-11)9-3-1-2-4-9/h5-6,9-10H,1-4,7-8H2,(H,13,16)
InChIKeyCQQPUDUTNOVGMS-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.13
Rot. Bonds4

About 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide

1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 102548381) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID102548381
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCC1CO1)c1ccn(C2CCCC2)n1
InChIInChI=1S/C12H17N3O2/c16-12(13-7-10-8-17-10)11-5-6-15(14-11)9-3-1-2-4-9/h5-6,9-10H,1-4,7-8H2,(H,13,16)
InChIKeyCQQPUDUTNOVGMS-UHFFFAOYSA-N
XLogP1.13
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 71968725
N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide
CID 154577373
1-cyclopentyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 35762704
4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543379
1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
N-benzyl-1-cyclopropylpyrazole-3-carboxamide
CID 155012818
1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
CID 97247623
N-[2-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-1-cyclohexylpyrazole-3-carboxamide
CID 154874837
1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
CID 99786412
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 99851518
1-(1-cyclobutylpyrazol-3-yl)propan-1-one
CID 174824518

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide (CID 102548381) is 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide is O=C(NCC1CO1)c1ccn(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is CQQPUDUTNOVGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(13-7-10-8-17-10)11-5-6-15(14-11)9-3-1-2-4-9/h5-6,9-10H,1-4,7-8H2,(H,13,16).
What are the key properties of 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide?
1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 102548381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).