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

C16H15ClFN3 — CID 82072664

IUPAC[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(c2ccc(F)cc2)C(c2ccccc2Cl)C1
InChIInChI=1S/C16H15ClFN3/c17-15-4-2-1-3-14(15)16-9-12(10-19)20-21(16)13-7-5-11(18)6-8-13/h1-8,16H,9-10,19H2
InChIKeyULPCXWJRJSBXCI-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.75
Rot. Bonds3

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

[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82072664) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82072664
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(c2ccc(F)cc2)C(c2ccccc2Cl)C1
InChIInChI=1S/C16H15ClFN3/c17-15-4-2-1-3-14(15)16-9-12(10-19)20-21(16)13-7-5-11(18)6-8-13/h1-8,16H,9-10,19H2
InChIKeyULPCXWJRJSBXCI-UHFFFAOYSA-N
XLogP3.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072730
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991
[2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072736
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071807
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072549
2-[2-benzyl-3-(2-chlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072649
2-(4-bromophenyl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid
CID 118432101
[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072542
2-[3-(2-chlorophenyl)-2-(4-piperazin-1-ylphenyl)-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118431974
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
3-(2-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 21297801

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine (CID 82072664) is [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine is NCC1=NN(c2ccc(F)cc2)C(c2ccccc2Cl)C1.
What is the InChIKey of [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is ULPCXWJRJSBXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c17-15-4-2-1-3-14(15)16-9-12(10-19)20-21(16)13-7-5-11(18)6-8-13/h1-8,16H,9-10,19H2.
What are the key properties of [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 303.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82072664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).