2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole

C16H14Cl2N2 — CID 135029399

IUPAC2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H14Cl2N2/c1-11-10-16(12-2-4-13(17)5-3-12)20(19-11)15-8-6-14(18)7-9-15/h2-9,16H,10H2,1H3
InChIKeyGUKVWKFYRBJHRH-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.32
Rot. Bonds2

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

2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole (PubChem CID 135029399) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
PubChem CID135029399
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H14Cl2N2/c1-11-10-16(12-2-4-13(17)5-3-12)20(19-11)15-8-6-14(18)7-9-15/h2-9,16H,10H2,1H3
InChIKeyGUKVWKFYRBJHRH-UHFFFAOYSA-N
XLogP5.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine
CID 155406104
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
2-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole-3-carbaldehyde
CID 174315517
ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 19908446
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
CID 44632375
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
2-[3-(4-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732265

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole?
The IUPAC name of 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole (CID 135029399) is 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole is CC1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole?
The InChIKey is GUKVWKFYRBJHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-11-10-16(12-2-4-13(17)5-3-12)20(19-11)15-8-6-14(18)7-9-15/h2-9,16H,10H2,1H3.
What are the key properties of 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole?
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole has a molecular weight of 305.21 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 135029399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).