[4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine

C19H21N3 — CID 155568187

IUPAC[4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine
SMILESCc1ccc(-c2c(C)nn(-c3ccc(CN)cc3)c2C)cc1
InChIInChI=1S/C19H21N3/c1-13-4-8-17(9-5-13)19-14(2)21-22(15(19)3)18-10-6-16(12-20)7-11-18/h4-11H,12,20H2,1-3H3
InChIKeySPTCEOOBTAIXFR-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.92
Rot. Bonds3

About [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine

[4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine (PubChem CID 155568187) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine
PubChem CID155568187
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name[4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine
SMILESCc1ccc(-c2c(C)nn(-c3ccc(CN)cc3)c2C)cc1
InChIInChI=1S/C19H21N3/c1-13-4-8-17(9-5-13)19-14(2)21-22(15(19)3)18-10-6-16(12-20)7-11-18/h4-11H,12,20H2,1-3H3
InChIKeySPTCEOOBTAIXFR-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine?
The IUPAC name of [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine (CID 155568187) is [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine is Cc1ccc(-c2c(C)nn(-c3ccc(CN)cc3)c2C)cc1.
What is the InChIKey of [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine?
The InChIKey is SPTCEOOBTAIXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-13-4-8-17(9-5-13)19-14(2)21-22(15(19)3)18-10-6-16(12-20)7-11-18/h4-11H,12,20H2,1-3H3.
What are the key properties of [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine?
[4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 155568187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).