N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide

C13H14ClN3O3 — CID 903295

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)c(OC)cc1Cl
InChIInChI=1S/C13H14ClN3O3/c1-17-10(4-5-15-17)13(18)16-9-7-11(19-2)8(14)6-12(9)20-3/h4-7H,1-3H3,(H,16,18)
InChIKeyBJDFFFSPJCEGDB-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.34
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 903295) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID903295
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)c(OC)cc1Cl
InChIInChI=1S/C13H14ClN3O3/c1-17-10(4-5-15-17)13(18)16-9-7-11(19-2)8(14)6-12(9)20-3/h4-7H,1-3H3,(H,16,18)
InChIKeyBJDFFFSPJCEGDB-UHFFFAOYSA-N
XLogP2.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide (CID 903295) is N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide is COc1cc(NC(=O)c2ccnn2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is BJDFFFSPJCEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-17-10(4-5-15-17)13(18)16-9-7-11(19-2)8(14)6-12(9)20-3/h4-7H,1-3H3,(H,16,18).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 903295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).