4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine

C10H12N4 — CID 82234896

IUPAC4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine
SMILESCN(c1ccccc1)c1cn[nH]c1N
InChIInChI=1S/C10H12N4/c1-14(8-5-3-2-4-6-8)9-7-12-13-10(9)11/h2-7H,1H3,(H3,11,12,13)
InChIKeyWJLVUEZDYLKFDA-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.76
Rot. Bonds2

About 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine

4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine (PubChem CID 82234896) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine
PubChem CID82234896
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine
SMILESCN(c1ccccc1)c1cn[nH]c1N
InChIInChI=1S/C10H12N4/c1-14(8-5-3-2-4-6-8)9-7-12-13-10(9)11/h2-7H,1H3,(H3,11,12,13)
InChIKeyWJLVUEZDYLKFDA-UHFFFAOYSA-N
XLogP1.76
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine (CID 82234896) is 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine is CN(c1ccccc1)c1cn[nH]c1N.
What is the InChIKey of 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine?
The InChIKey is WJLVUEZDYLKFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-14(8-5-3-2-4-6-8)9-7-12-13-10(9)11/h2-7H,1H3,(H3,11,12,13).
What are the key properties of 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine?
4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine has a molecular weight of 188.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82234896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).