(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone

C18H13ClN2OS2 — CID 97306131

IUPAC(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@H]1c1cccs1
InChIInChI=1S/C18H13ClN2OS2/c19-14-5-2-1-4-13(14)18(22)21-16(17-6-3-8-24-17)10-15(20-21)12-7-9-23-11-12/h1-9,11,16H,10H2/t16-/m0/s1
InChIKeyCMXBLZFXRUIUNU-INIZCTEOSA-N
MW372.90 g/mol
LogP5.45
Rot. Bonds3

About (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone

(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 97306131) has the molecular formula C18H13ClN2OS2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID97306131
Molecular FormulaC18H13ClN2OS2
Molecular Weight372.90 g/mol
Exact Mass372.02
IUPAC Name(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@H]1c1cccs1
InChIInChI=1S/C18H13ClN2OS2/c19-14-5-2-1-4-13(14)18(22)21-16(17-6-3-8-24-17)10-15(20-21)12-7-9-23-11-12/h1-9,11,16H,10H2/t16-/m0/s1
InChIKeyCMXBLZFXRUIUNU-INIZCTEOSA-N
XLogP5.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 47087854
[(3R)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 951407
(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7454978
(2-methoxyphenyl)-[(3R)-3-(2-methoxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 99801302
(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 119038819
[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 97080916
(2-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 992022
furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 91653669
1-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 18359788
furan-2-yl-[(3R)-3-(furan-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 100663472
furan-2-yl-[(3R)-3-(2-hydroxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97079923
N-[5-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)-1,3-benzoxazol-2-yl]-2-chlorobenzamide
CID 171347008

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone (CID 97306131) is (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@H]1c1cccs1.
What is the InChIKey of (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is CMXBLZFXRUIUNU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H13ClN2OS2/c19-14-5-2-1-4-13(14)18(22)21-16(17-6-3-8-24-17)10-15(20-21)12-7-9-23-11-12/h1-9,11,16H,10H2/t16-/m0/s1.
What are the key properties of (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 372.90 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 97306131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).