N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide

C9H12BrN3O — CID 19294775

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide
SMILESCn1ncc(Br)c1CNC(=O)C1CC1
InChIInChI=1S/C9H12BrN3O/c1-13-8(7(10)4-12-13)5-11-9(14)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeyJJBQCGIFZBGMLN-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.21
Rot. Bonds3

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide (PubChem CID 19294775) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide
PubChem CID19294775
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide
SMILESCn1ncc(Br)c1CNC(=O)C1CC1
InChIInChI=1S/C9H12BrN3O/c1-13-8(7(10)4-12-13)5-11-9(14)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeyJJBQCGIFZBGMLN-UHFFFAOYSA-N
XLogP1.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide
CID 19296614
methyl 4-[(4-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]benzoate
CID 19296541
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 19296461
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine
CID 130834100
(E)-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(2-chlorophenyl)prop-2-enamide
CID 19294764
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 19294800
(5R)-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 51392091
N-[(2,3-dimethylimidazol-4-yl)methyl]cyclopropanecarboxamide
CID 164659423
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19296464
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
CID 103883571
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide (CID 19294775) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide is Cn1ncc(Br)c1CNC(=O)C1CC1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide?
The InChIKey is JJBQCGIFZBGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-13-8(7(10)4-12-13)5-11-9(14)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,11,14).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide has a molecular weight of 258.12 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 19294775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).