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

C16H16ClN3 — CID 82071807

IUPAC[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(c2cccc(Cl)c2)C(c2ccccc2)C1
InChIInChI=1S/C16H16ClN3/c17-13-7-4-8-15(9-13)20-16(10-14(11-18)19-20)12-5-2-1-3-6-12/h1-9,16H,10-11,18H2
InChIKeyUKYBNXJXALLKNY-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.61
Rot. Bonds3

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

[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82071807) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82071807
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(c2cccc(Cl)c2)C(c2ccccc2)C1
InChIInChI=1S/C16H16ClN3/c17-13-7-4-8-15(9-13)20-16(10-14(11-18)19-20)12-5-2-1-3-6-12/h1-9,16H,10-11,18H2
InChIKeyUKYBNXJXALLKNY-UHFFFAOYSA-N
XLogP3.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991
2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071794
[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
CID 82072903
[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071990
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072730
2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072414
5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 170722101
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 3703688
[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072664
(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-amine
CID 92982843

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine (CID 82071807) is [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine is NCC1=NN(c2cccc(Cl)c2)C(c2ccccc2)C1.
What is the InChIKey of [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is UKYBNXJXALLKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c17-13-7-4-8-15(9-13)20-16(10-14(11-18)19-20)12-5-2-1-3-6-12/h1-9,16H,10-11,18H2.
What are the key properties of [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine?
[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 285.78 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82071807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).