[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine

C17H18ClN3 — CID 82071990

IUPAC[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(Cc2ccccc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H18ClN3/c18-15-8-6-14(7-9-15)17-10-16(11-19)20-21(17)12-13-4-2-1-3-5-13/h1-9,17H,10-12,19H2
InChIKeyJKWMADIRTXJTHD-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.60
Rot. Bonds4

About [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine

[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82071990) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82071990
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(Cc2ccccc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H18ClN3/c18-15-8-6-14(7-9-15)17-10-16(11-19)20-21(17)12-13-4-2-1-3-5-13/h1-9,17H,10-12,19H2
InChIKeyJKWMADIRTXJTHD-UHFFFAOYSA-N
XLogP3.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072314
2-[2-benzyl-3-(2-chlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072649
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991
[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071807
2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 14932647
[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072730
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
CID 82072903
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
CID 82071988

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine (CID 82071990) is [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine is NCC1=NN(Cc2ccccc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is JKWMADIRTXJTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c18-15-8-6-14(7-9-15)17-10-16(11-19)20-21(17)12-13-4-2-1-3-5-13/h1-9,17H,10-12,19H2.
What are the key properties of [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 299.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82071990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).