4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide

C16H16BrN5O — CID 95744528

IUPAC4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2cnn(CCc3ccccc3)c2)n1
InChIInChI=1S/C16H16BrN5O/c1-21-11-14(17)15(20-21)16(23)19-13-9-18-22(10-13)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,23)
InChIKeyZKYIVDAOOQRMJO-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.87
Rot. Bonds5

About 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide

4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 95744528) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID95744528
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2cnn(CCc3ccccc3)c2)n1
InChIInChI=1S/C16H16BrN5O/c1-21-11-14(17)15(20-21)16(23)19-13-9-18-22(10-13)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,23)
InChIKeyZKYIVDAOOQRMJO-UHFFFAOYSA-N
XLogP2.87
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-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

4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262933
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262899
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-iodo-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744832
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744472
2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744763
2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744761
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267419
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267428
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 95744528) is 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2cnn(CCc3ccccc3)c2)n1.
What is the InChIKey of 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is ZKYIVDAOOQRMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-21-11-14(17)15(20-21)16(23)19-13-9-18-22(10-13)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,23).
What are the key properties of 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 374.24 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95744528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).