4-(2-methylpyrazol-3-yl)benzene-1,2-diamine

C10H12N4 — CID 91618945

IUPAC4-(2-methylpyrazol-3-yl)benzene-1,2-diamine
SMILESCn1nccc1-c1ccc(N)c(N)c1
InChIInChI=1S/C10H12N4/c1-14-10(4-5-13-14)7-2-3-8(11)9(12)6-7/h2-6H,11-12H2,1H3
InChIKeyDMFIIEREKKQHLH-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.25
Rot. Bonds1

About 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine

4-(2-methylpyrazol-3-yl)benzene-1,2-diamine (PubChem CID 91618945) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)benzene-1,2-diamine
PubChem CID91618945
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-(2-methylpyrazol-3-yl)benzene-1,2-diamine
SMILESCn1nccc1-c1ccc(N)c(N)c1
InChIInChI=1S/C10H12N4/c1-14-10(4-5-13-14)7-2-3-8(11)9(12)6-7/h2-6H,11-12H2,1H3
InChIKeyDMFIIEREKKQHLH-UHFFFAOYSA-N
XLogP1.25
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine 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-(2-methylpyrazol-3-yl)benzene-1,2-diamine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine (CID 91618945) is 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine is Cn1nccc1-c1ccc(N)c(N)c1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine?
The InChIKey is DMFIIEREKKQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-14-10(4-5-13-14)7-2-3-8(11)9(12)6-7/h2-6H,11-12H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine?
4-(2-methylpyrazol-3-yl)benzene-1,2-diamine has a molecular weight of 188.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 91618945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).