3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide

C15H13Cl2N5O — CID 19513619

IUPAC3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C15H13Cl2N5O/c1-22-10(4-5-19-22)8-18-15(23)14-7-13(20-21-14)9-2-3-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,23)(H,20,21)
InChIKeyUELSFHJLUZHBGX-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.05
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide

3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 19513619) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID19513619
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C15H13Cl2N5O/c1-22-10(4-5-19-22)8-18-15(23)14-7-13(20-21-14)9-2-3-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,23)(H,20,21)
InChIKeyUELSFHJLUZHBGX-UHFFFAOYSA-N
XLogP3.05
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-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

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513750
3,4-dichloro-N-[2-[[N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111956033
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[(2-methylpyrazol-3-yl)methylcarbamoyl]phenyl]benzoic acid
CID 71534656
3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 55206512
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
4-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19477268
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 19513619) is 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is Cn1nccc1CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UELSFHJLUZHBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-22-10(4-5-19-22)8-18-15(23)14-7-13(20-21-14)9-2-3-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,23)(H,20,21).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).