(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole

C14H13ClN2O3S — CID 95975634

IUPAC(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(18,19)17-13(10-4-2-5-11(15)8-10)9-12(16-17)14-6-3-7-20-14/h2-8,13H,9H2,1H3/t13-/m0/s1
InChIKeyFNLVPNFHPGZMED-ZDUSSCGKSA-N
MW324.79 g/mol
LogP3.04
Rot. Bonds3

About (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole

(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole (PubChem CID 95975634) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
PubChem CID95975634
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(18,19)17-13(10-4-2-5-11(15)8-10)9-12(16-17)14-6-3-7-20-14/h2-8,13H,9H2,1H3/t13-/m0/s1
InChIKeyFNLVPNFHPGZMED-ZDUSSCGKSA-N
XLogP3.04
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 99801488
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 119053141
(3R)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 846221
2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole
CID 71779702
2-chloro-3-[(3R)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-7-methylquinoline
CID 992005
5-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 119038830
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
1-[(3R)-3-(2,4-dichlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 949988
(5R,10bS)-9-bromo-5-(3-chlorophenyl)-2-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40838814
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
5-(3,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86820197

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole (CID 95975634) is (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole is CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The InChIKey is FNLVPNFHPGZMED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(18,19)17-13(10-4-2-5-11(15)8-10)9-12(16-17)14-6-3-7-20-14/h2-8,13H,9H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole has a molecular weight of 324.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 95975634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).