1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine

C12H16N4 — CID 43554200

IUPAC1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
SMILESCc1ccccc1Nc1c(N)c(C)nn1C
InChIInChI=1S/C12H16N4/c1-8-6-4-5-7-10(8)14-12-11(13)9(2)15-16(12)3/h4-7,14H,13H2,1-3H3
InChIKeyLQERYMJESJFRCV-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.36
Rot. Bonds2

About 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine (PubChem CID 43554200) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
PubChem CID43554200
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
SMILESCc1ccccc1Nc1c(N)c(C)nn1C
InChIInChI=1S/C12H16N4/c1-8-6-4-5-7-10(8)14-12-11(13)9(2)15-16(12)3/h4-7,14H,13H2,1-3H3
InChIKeyLQERYMJESJFRCV-UHFFFAOYSA-N
XLogP2.36
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine (CID 43554200) is 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine is Cc1ccccc1Nc1c(N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine?
The InChIKey is LQERYMJESJFRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-6-4-5-7-10(8)14-12-11(13)9(2)15-16(12)3/h4-7,14H,13H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine has a molecular weight of 216.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine is sourced from PubChem (CID 43554200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).