[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine

C18H18ClN3 — CID 82072108

IUPAC[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
SMILESCc1ccc(-c2cc(CN)nn2-c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H18ClN3/c1-12-3-5-14(6-4-12)18-10-16(11-20)21-22(18)17-8-7-15(19)9-13(17)2/h3-10H,11,20H2,1-2H3
InChIKeyTZDXOVDUHVUKMB-UHFFFAOYSA-N
MW311.82 g/mol
LogP4.27
Rot. Bonds3

About [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine

[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072108) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
PubChem CID82072108
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
SMILESCc1ccc(-c2cc(CN)nn2-c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H18ClN3/c1-12-3-5-14(6-4-12)18-10-16(11-20)21-22(18)17-8-7-15(19)9-13(17)2/h3-10H,11,20H2,1-2H3
InChIKeyTZDXOVDUHVUKMB-UHFFFAOYSA-N
XLogP4.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine (CID 82072108) is [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine is Cc1ccc(-c2cc(CN)nn2-c2ccc(Cl)cc2C)cc1.
What is the InChIKey of [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is TZDXOVDUHVUKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c1-12-3-5-14(6-4-12)18-10-16(11-20)21-22(18)17-8-7-15(19)9-13(17)2/h3-10H,11,20H2,1-2H3.
What are the key properties of [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine?
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine has a molecular weight of 311.82 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).