(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

C20H17ClN2OS — CID 7290384

IUPAC(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2OS/c1-24-19-6-3-2-5-16(19)18-13-17(20-7-4-12-25-20)22-23(18)15-10-8-14(21)9-11-15/h2-12,18H,13H2,1H3/t18-/m0/s1
InChIKeyDUFYEUYVCHKIQW-SFHVURJKSA-N
MW368.89 g/mol
LogP5.77
Rot. Bonds4

About (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 7290384) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID7290384
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2OS/c1-24-19-6-3-2-5-16(19)18-13-17(20-7-4-12-25-20)22-23(18)15-10-8-14(21)9-11-15/h2-12,18H,13H2,1H3/t18-/m0/s1
InChIKeyDUFYEUYVCHKIQW-SFHVURJKSA-N
XLogP5.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3106181
2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 45356708
(3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290383
9-chloro-5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5005845
6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3658207
(5R,10bR)-5-(2-chlorophenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40545390
6-chloro-2-[(3R)-3-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98257508
3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole
CID 41316765
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 174592956
(3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7453217
(3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 7079840

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 7290384) is (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccc(Cl)cc1.
What is the InChIKey of (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is DUFYEUYVCHKIQW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c1-24-19-6-3-2-5-16(19)18-13-17(20-7-4-12-25-20)22-23(18)15-10-8-14(21)9-11-15/h2-12,18H,13H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 368.89 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 7290384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).