4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide

C14H14ClN7O — CID 90394599

IUPAC4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)cnn3C)cn2)n(C)n1
InChIInChI=1S/C14H14ClN7O/c1-8-4-11(21(2)20-8)10-6-17-12(7-16-10)19-14(23)13-9(15)5-18-22(13)3/h4-7H,1-3H3,(H,17,19,23)
InChIKeyYRWIQGKBJLRAPB-UHFFFAOYSA-N
MW331.77 g/mol
LogP1.82
Rot. Bonds3

About 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90394599) has the molecular formula C14H14ClN7O and a molecular weight of 331.77 g/mol. Its IUPAC name is 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90394599
Molecular FormulaC14H14ClN7O
Molecular Weight331.77 g/mol
Exact Mass331.09
IUPAC Name4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)cnn3C)cn2)n(C)n1
InChIInChI=1S/C14H14ClN7O/c1-8-4-11(21(2)20-8)10-6-17-12(7-16-10)19-14(23)13-9(15)5-18-22(13)3/h4-7H,1-3H3,(H,17,19,23)
InChIKeyYRWIQGKBJLRAPB-UHFFFAOYSA-N
XLogP1.82
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide (CID 90394599) is 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide is Cc1cc(-c2cnc(NC(=O)c3c(Cl)cnn3C)cn2)n(C)n1.
What is the InChIKey of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is YRWIQGKBJLRAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN7O/c1-8-4-11(21(2)20-8)10-6-17-12(7-16-10)19-14(23)13-9(15)5-18-22(13)3/h4-7H,1-3H3,(H,17,19,23).
What are the key properties of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 331.77 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90394599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).