5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide

C13H21N3O — CID 110848665

IUPAC5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CCCC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-13(2,3)11-8-10(15-16-11)12(17)14-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyCSZXWSYVMCYRRK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds2

About 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide

5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide (PubChem CID 110848665) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
PubChem CID110848665
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CCCC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-13(2,3)11-8-10(15-16-11)12(17)14-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyCSZXWSYVMCYRRK-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 175943351
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119591594
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 75516537
N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803037
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545169
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[(2S)-2-cyclohexyl-2-hydroxyacetyl]amino]propanamide
CID 142992313
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803048

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide (CID 110848665) is 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide is CC(C)(C)c1cc(C(=O)NC2CCCC2)n[nH]1.
What is the InChIKey of 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide?
The InChIKey is CSZXWSYVMCYRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)11-8-10(15-16-11)12(17)14-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110848665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).