5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

C18H19N3 — CID 62830116

IUPAC5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2cccc(C)c2C)c1
InChIInChI=1S/C18H19N3/c1-11-6-4-8-14(10-11)16-17(20-21-18(16)19)15-9-5-7-12(2)13(15)3/h4-10H,1-3H3,(H3,19,20,21)
InChIKeyOEFQKAWBNOVFMH-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.25
Rot. Bonds2

About 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62830116) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62830116
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2cccc(C)c2C)c1
InChIInChI=1S/C18H19N3/c1-11-6-4-8-14(10-11)16-17(20-21-18(16)19)15-9-5-7-12(2)13(15)3/h4-10H,1-3H3,(H3,19,20,21)
InChIKeyOEFQKAWBNOVFMH-UHFFFAOYSA-N
XLogP4.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (CID 62830116) is 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is Cc1cccc(-c2c(N)n[nH]c2-c2cccc(C)c2C)c1.
What is the InChIKey of 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is OEFQKAWBNOVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-11-6-4-8-14(10-11)16-17(20-21-18(16)19)15-9-5-7-12(2)13(15)3/h4-10H,1-3H3,(H3,19,20,21).
What are the key properties of 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 277.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62830116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).