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

C19H22ClN3 — CID 82072064

IUPAC2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCc1ccc(C2CC(CCN)=NN2c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H22ClN3/c1-13-3-6-15(7-4-13)19-12-17(9-10-21)22-23(19)18-11-16(20)8-5-14(18)2/h3-8,11,19H,9-10,12,21H2,1-2H3
InChIKeyARSDRJFNBTTXQI-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.61
Rot. Bonds4

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

2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (PubChem CID 82072064) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
PubChem CID82072064
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCc1ccc(C2CC(CCN)=NN2c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H22ClN3/c1-13-3-6-15(7-4-13)19-12-17(9-10-21)22-23(19)18-11-16(20)8-5-14(18)2/h3-8,11,19H,9-10,12,21H2,1-2H3
InChIKeyARSDRJFNBTTXQI-UHFFFAOYSA-N
XLogP4.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[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-[2-(4-ethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072054
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072549
(3S)-2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657035
[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium
CID 140569965
ethyl 2-[[2-(2,4-dichlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-5-carbonyl]amino]acetate
CID 44545458
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 25057334
5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole
CID 3065977
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (CID 82072064) is 2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is Cc1ccc(C2CC(CCN)=NN2c2cc(Cl)ccc2C)cc1.
What is the InChIKey of 2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The InChIKey is ARSDRJFNBTTXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-13-3-6-15(7-4-13)19-12-17(9-10-21)22-23(19)18-11-16(20)8-5-14(18)2/h3-8,11,19H,9-10,12,21H2,1-2H3.
What are the key properties of 2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine has a molecular weight of 327.86 g/mol, XLogP of 4.61, 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-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is sourced from PubChem (CID 82072064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).