[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine

C19H21N3 — CID 28910884

IUPAC[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
SMILESCCc1ccc(-n2cc(CN)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H21N3/c1-3-15-6-10-18(11-7-15)22-13-17(12-20)19(21-22)16-8-4-14(2)5-9-16/h4-11,13H,3,12,20H2,1-2H3
InChIKeyDREZMASNPYEPJO-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.87
Rot. Bonds4

About [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine

[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine (PubChem CID 28910884) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
PubChem CID28910884
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
SMILESCCc1ccc(-n2cc(CN)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H21N3/c1-3-15-6-10-18(11-7-15)22-13-17(12-20)19(21-22)16-8-4-14(2)5-9-16/h4-11,13H,3,12,20H2,1-2H3
InChIKeyDREZMASNPYEPJO-UHFFFAOYSA-N
XLogP3.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine (CID 28910884) is [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine is CCc1ccc(-n2cc(CN)c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is DREZMASNPYEPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-3-15-6-10-18(11-7-15)22-13-17(12-20)19(21-22)16-8-4-14(2)5-9-16/h4-11,13H,3,12,20H2,1-2H3.
What are the key properties of [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine?
[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 28910884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).