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

C8H12BrN3O — CID 19296614

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(Br)cnn1C
InChIInChI=1S/C8H12BrN3O/c1-3-8(13)10-5-7-6(9)4-11-12(7)2/h4H,3,5H2,1-2H3,(H,10,13)
InChIKeyIMXLTRGDCQWMSV-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.21
Rot. Bonds3

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

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide (PubChem CID 19296614) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide
PubChem CID19296614
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(Br)cnn1C
InChIInChI=1S/C8H12BrN3O/c1-3-8(13)10-5-7-6(9)4-11-12(7)2/h4H,3,5H2,1-2H3,(H,10,13)
InChIKeyIMXLTRGDCQWMSV-UHFFFAOYSA-N
XLogP1.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 19294775
methyl 4-[(4-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]benzoate
CID 19296541
1-(4-bromo-1-methylpyrazol-5-yl)pentan-3-one
CID 114663538
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 19296461
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19327017
(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
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide
CID 19322755
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435
ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate
CID 83441099

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide (CID 19296614) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide is CCC(=O)NCc1c(Br)cnn1C.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide?
The InChIKey is IMXLTRGDCQWMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-3-8(13)10-5-7-6(9)4-11-12(7)2/h4H,3,5H2,1-2H3,(H,10,13).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide has a molecular weight of 246.11 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]propanamide is sourced from PubChem (CID 19296614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).