4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C15H13BrClN5O — CID 19475126

IUPAC4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C15H13BrClN5O/c1-21-14(12(16)8-18-21)15(23)19-13-5-6-22(20-13)9-10-3-2-4-11(17)7-10/h2-8H,9H2,1H3,(H,19,20,23)
InChIKeyQXRWEVLKCKFVOO-UHFFFAOYSA-N
MW394.66 g/mol
LogP3.33
Rot. Bonds4

About 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 19475126) has the molecular formula C15H13BrClN5O and a molecular weight of 394.66 g/mol. Its IUPAC name is 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID19475126
Molecular FormulaC15H13BrClN5O
Molecular Weight394.66 g/mol
Exact Mass393.00
IUPAC Name4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C15H13BrClN5O/c1-21-14(12(16)8-18-21)15(23)19-13-5-6-22(20-13)9-10-3-2-4-11(17)7-10/h2-8H,9H2,1H3,(H,19,20,23)
InChIKeyQXRWEVLKCKFVOO-UHFFFAOYSA-N
XLogP3.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-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-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475153
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19508570
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403231
2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19551410
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264337
N-(1-benzyl-4-chloropyrazol-3-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19475114
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520712
N-(1-benzyl-1,2,4-triazol-3-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19475154
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 19475126) is 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is QXRWEVLKCKFVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN5O/c1-21-14(12(16)8-18-21)15(23)19-13-5-6-22(20-13)9-10-3-2-4-11(17)7-10/h2-8H,9H2,1H3,(H,19,20,23).
What are the key properties of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 394.66 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).