[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine

C18H21N3 — CID 82071810

IUPAC[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
SMILESCc1ccc(N2N=C(CN)CC2c2ccccc2)cc1C
InChIInChI=1S/C18H21N3/c1-13-8-9-17(10-14(13)2)21-18(11-16(12-19)20-21)15-6-4-3-5-7-15/h3-10,18H,11-12,19H2,1-2H3
InChIKeyDLLJSJDGGNTTBI-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.57
Rot. Bonds3

About [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine

[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82071810) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82071810
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
SMILESCc1ccc(N2N=C(CN)CC2c2ccccc2)cc1C
InChIInChI=1S/C18H21N3/c1-13-8-9-17(10-14(13)2)21-18(11-16(12-19)20-21)15-6-4-3-5-7-15/h3-10,18H,11-12,19H2,1-2H3
InChIKeyDLLJSJDGGNTTBI-UHFFFAOYSA-N
XLogP3.57
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071807
2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071794
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
CID 43835715
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991
2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071790
2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072414
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072549
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
CID 82072903
[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072542
[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072664

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine (CID 82071810) is [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine is Cc1ccc(N2N=C(CN)CC2c2ccccc2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is DLLJSJDGGNTTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-8-9-17(10-14(13)2)21-18(11-16(12-19)20-21)15-6-4-3-5-7-15/h3-10,18H,11-12,19H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine?
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82071810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).