N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide

C9H13N3O — CID 126857183

IUPACN-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC2)n[nH]1
InChIInChI=1S/C9H13N3O/c1-6-5-8(12-11-6)9(13)10-7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyYFZRWKSXDFZUBI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.00
Rot. Bonds2

About N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide

N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 126857183) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID126857183
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC2)n[nH]1
InChIInChI=1S/C9H13N3O/c1-6-5-8(12-11-6)9(13)10-7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyYFZRWKSXDFZUBI-UHFFFAOYSA-N
XLogP1.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110848665
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 90967948
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CID 45233020
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 110484336
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N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 128891586
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66212696
N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803048
N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide (CID 126857183) is N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCC2)n[nH]1.
What is the InChIKey of N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is YFZRWKSXDFZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-8(12-11-6)9(13)10-7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide?
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126857183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).