[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine

C18H20ClN3O — CID 82072549

IUPAC[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESCOc1ccccc1C1CC(CN)=NN1c1cc(Cl)ccc1C
InChIInChI=1S/C18H20ClN3O/c1-12-7-8-13(19)9-16(12)22-17(10-14(11-20)21-22)15-5-3-4-6-18(15)23-2/h3-9,17H,10-11,20H2,1-2H3
InChIKeyYFAZGKIFWPCWQZ-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.92
Rot. Bonds4

About [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine

[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82072549) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82072549
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESCOc1ccccc1C1CC(CN)=NN1c1cc(Cl)ccc1C
InChIInChI=1S/C18H20ClN3O/c1-12-7-8-13(19)9-16(12)22-17(10-14(11-20)21-22)15-5-3-4-6-18(15)23-2/h3-9,17H,10-11,20H2,1-2H3
InChIKeyYFAZGKIFWPCWQZ-UHFFFAOYSA-N
XLogP3.92
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine (CID 82072549) is [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine is COc1ccccc1C1CC(CN)=NN1c1cc(Cl)ccc1C.
What is the InChIKey of [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is YFAZGKIFWPCWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-12-7-8-13(19)9-16(12)22-17(10-14(11-20)21-22)15-5-3-4-6-18(15)23-2/h3-9,17H,10-11,20H2,1-2H3.
What are the key properties of [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 329.83 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).