[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone

C18H14N2OS2 — CID 97080916

IUPAC[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1
InChIInChI=1S/C18H14N2OS2/c21-18(13-4-2-1-3-5-13)20-17(15-7-9-23-12-15)10-16(19-20)14-6-8-22-11-14/h1-9,11-12,17H,10H2/t17-/m0/s1
InChIKeyYFKBHJQCOUIQLN-KRWDZBQOSA-N
MW338.46 g/mol
LogP4.80
Rot. Bonds3

About [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone

[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 97080916) has the molecular formula C18H14N2OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID97080916
Molecular FormulaC18H14N2OS2
Molecular Weight338.46 g/mol
Exact Mass338.05
IUPAC Name[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1
InChIInChI=1S/C18H14N2OS2/c21-18(13-4-2-1-3-5-13)20-17(15-7-9-23-12-15)10-16(19-20)14-6-8-22-11-14/h1-9,11-12,17H,10H2/t17-/m0/s1
InChIKeyYFKBHJQCOUIQLN-KRWDZBQOSA-N
XLogP4.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 99801479
1-[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 99801359
(4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 51910507
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97306131
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
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(2-methoxyphenyl)-[(3R)-3-(2-methoxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 99801302
1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 47087854
(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 119038819
1-[3-(4-ethylphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 91653454

Frequently Asked Questions

What is the IUPAC name of [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 97080916) is [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1.
What is the InChIKey of [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is YFKBHJQCOUIQLN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14N2OS2/c21-18(13-4-2-1-3-5-13)20-17(15-7-9-23-12-15)10-16(19-20)14-6-8-22-11-14/h1-9,11-12,17H,10H2/t17-/m0/s1.
What are the key properties of [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 338.46 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 97080916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).