(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole

C16H15ClN2 — CID 102160984

IUPAC(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15ClN2/c1-12-11-16(13-7-9-14(17)10-8-13)19(18-12)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyCVSLZHLORRKDED-INIZCTEOSA-N
MW270.76 g/mol
LogP4.67
Rot. Bonds2

About (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole

(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole (PubChem CID 102160984) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
PubChem CID102160984
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15ClN2/c1-12-11-16(13-7-9-14(17)10-8-13)19(18-12)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyCVSLZHLORRKDED-INIZCTEOSA-N
XLogP4.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine
CID 155406104
3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
CID 56950413
(3R)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 7329476
[4-(5-methyl-2-phenyl-3,4-dihydropyrazol-3-yl)phenyl]methanesulfinate
CID 174449441
(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160988
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole (CID 102160984) is (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole is CC1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole?
The InChIKey is CVSLZHLORRKDED-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-12-11-16(13-7-9-14(17)10-8-13)19(18-12)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole?
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole has a molecular weight of 270.76 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 102160984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).