5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine

C10H12ClN5 — CID 103057413

IUPAC5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(Cn2ncc(Cl)c2C)cn1
InChIInChI=1S/C10H12ClN5/c1-7-9(11)4-15-16(7)6-8-3-14-10(12-2)5-13-8/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyBQOVGPDAMYOGRM-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.72
Rot. Bonds3

About 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine

5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine (PubChem CID 103057413) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
PubChem CID103057413
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(Cn2ncc(Cl)c2C)cn1
InChIInChI=1S/C10H12ClN5/c1-7-9(11)4-15-16(7)6-8-3-14-10(12-2)5-13-8/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyBQOVGPDAMYOGRM-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine 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 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine (CID 103057413) is 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine is CNc1cnc(Cn2ncc(Cl)c2C)cn1.
What is the InChIKey of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine?
The InChIKey is BQOVGPDAMYOGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7-9(11)4-15-16(7)6-8-3-14-10(12-2)5-13-8/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine?
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103057413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).