2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine

C18H20ClN3 — CID 82071794

IUPAC2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCc1ccc(Cl)cc1N1N=C(CCN)CC1c1ccccc1
InChIInChI=1S/C18H20ClN3/c1-13-7-8-15(19)11-17(13)22-18(12-16(21-22)9-10-20)14-5-3-2-4-6-14/h2-8,11,18H,9-10,12,20H2,1H3
InChIKeyQSLOAJNFQIRSMA-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.30
Rot. Bonds4

About 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine

2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine (PubChem CID 82071794) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
PubChem CID82071794
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCc1ccc(Cl)cc1N1N=C(CCN)CC1c1ccccc1
InChIInChI=1S/C18H20ClN3/c1-13-7-8-15(19)11-17(13)22-18(12-16(21-22)9-10-20)14-5-3-2-4-6-14/h2-8,11,18H,9-10,12,20H2,1H3
InChIKeyQSLOAJNFQIRSMA-UHFFFAOYSA-N
XLogP4.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072064
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
(3S)-2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657035
2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072419
2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071907
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072549
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
CID 82071795
[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071807
2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072414
[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium
CID 140569965
(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
CID 7452261

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine (CID 82071794) is 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine is Cc1ccc(Cl)cc1N1N=C(CCN)CC1c1ccccc1.
What is the InChIKey of 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine?
The InChIKey is QSLOAJNFQIRSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-13-7-8-15(19)11-17(13)22-18(12-16(21-22)9-10-20)14-5-3-2-4-6-14/h2-8,11,18H,9-10,12,20H2,1H3.
What are the key properties of 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine?
2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine has a molecular weight of 313.83 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine is sourced from PubChem (CID 82071794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).