3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine

C18H19N3 — CID 83204094

IUPAC3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccccc3C)n2)c1
InChIInChI=1S/C18H19N3/c1-13-6-5-8-15(10-13)11-21-12-17(19)18(20-21)16-9-4-3-7-14(16)2/h3-10,12H,11,19H2,1-2H3
InChIKeyCZNNJXFMQPKOFE-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.80
Rot. Bonds3

About 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine

3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine (PubChem CID 83204094) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
PubChem CID83204094
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccccc3C)n2)c1
InChIInChI=1S/C18H19N3/c1-13-6-5-8-15(10-13)11-21-12-17(19)18(20-21)16-9-4-3-7-14(16)2/h3-10,12H,11,19H2,1-2H3
InChIKeyCZNNJXFMQPKOFE-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine (CID 83204094) is 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine is Cc1cccc(Cn2cc(N)c(-c3ccccc3C)n2)c1.
What is the InChIKey of 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The InChIKey is CZNNJXFMQPKOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-6-5-8-15(10-13)11-21-12-17(19)18(20-21)16-9-4-3-7-14(16)2/h3-10,12H,11,19H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83204094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).