4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

C13H15BrN4O — CID 47445539

IUPAC4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c(C2CC2)c1Br)C1(C#N)CCC1
InChIInChI=1S/C13H15BrN4O/c1-18(13(7-15)5-2-6-13)12(19)11-9(14)10(16-17-11)8-3-4-8/h8H,2-6H2,1H3,(H,16,17)
InChIKeyKYCSEFFRJUNDAU-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.57
Rot. Bonds3

About 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 47445539) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID47445539
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c(C2CC2)c1Br)C1(C#N)CCC1
InChIInChI=1S/C13H15BrN4O/c1-18(13(7-15)5-2-6-13)12(19)11-9(14)10(16-17-11)8-3-4-8/h8H,2-6H2,1H3,(H,16,17)
InChIKeyKYCSEFFRJUNDAU-UHFFFAOYSA-N
XLogP2.57
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228143
4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95144939
4-bromo-5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 48589989
4-bromo-5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 48590148
4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 48625263
4-bromo-N,5-dicyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95092326
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 119220931
N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide
CID 154752802
N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide
CID 82130674
N-(1-cyanocyclopentyl)-N-methylacetamide
CID 82125090
(2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370448

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (CID 47445539) is 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is CN(C(=O)c1n[nH]c(C2CC2)c1Br)C1(C#N)CCC1.
What is the InChIKey of 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KYCSEFFRJUNDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-18(13(7-15)5-2-6-13)12(19)11-9(14)10(16-17-11)8-3-4-8/h8H,2-6H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyanocyclobutyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47445539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).