N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide

C10H10BrN3OS — CID 62299080

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C10H10BrN3OS/c1-14-9(2-3-13-14)10(15)12-5-8-4-7(11)6-16-8/h2-4,6H,5H2,1H3,(H,12,15)
InChIKeySECZFZZMALGMQW-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.17
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 62299080) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
PubChem CID62299080
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C10H10BrN3OS/c1-14-9(2-3-13-14)10(15)12-5-8-4-7(11)6-16-8/h2-4,6H,5H2,1H3,(H,12,15)
InChIKeySECZFZZMALGMQW-UHFFFAOYSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide 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-bromothiophen-2-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 60794991
4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906
2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379887
N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 47250390
4-amino-N-[(4-bromothiophen-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123050
N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 71844437
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 47250379
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide (CID 62299080) is N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is SECZFZZMALGMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14-9(2-3-13-14)10(15)12-5-8-4-7(11)6-16-8/h2-4,6H,5H2,1H3,(H,12,15).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 62299080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).