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

C10H12N4 — CID 118693272

IUPAC4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
SMILESCn1cc(-c2ccc(N)c(N)c2)cn1
InChIInChI=1S/C10H12N4/c1-14-6-8(5-13-14)7-2-3-9(11)10(12)4-7/h2-6H,11-12H2,1H3
InChIKeyGNVFQPOFUZRQOM-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.25
Rot. Bonds1

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

4-(1-methylpyrazol-4-yl)benzene-1,2-diamine (PubChem CID 118693272) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
PubChem CID118693272
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
SMILESCn1cc(-c2ccc(N)c(N)c2)cn1
InChIInChI=1S/C10H12N4/c1-14-6-8(5-13-14)7-2-3-9(11)10(12)4-7/h2-6H,11-12H2,1H3
InChIKeyGNVFQPOFUZRQOM-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-(1-methylpyrazol-4-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

Related Compounds

2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine
CID 129246134
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine
CID 118184961
3-(1-methylpyrazol-4-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123423735
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
CID 167459732
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole
CID 121365287
3-(difluoromethyl)-5-(1-methylpyrazol-4-yl)aniline
CID 171394100

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)benzene-1,2-diamine (CID 118693272) is 4-(1-methylpyrazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)benzene-1,2-diamine is Cn1cc(-c2ccc(N)c(N)c2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?
The InChIKey is GNVFQPOFUZRQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-14-6-8(5-13-14)7-2-3-9(11)10(12)4-7/h2-6H,11-12H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?
4-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 118693272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).