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

C18H13ClN2O2S — CID 119038819

IUPAC(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccco2)CC1c1ccsc1
InChIInChI=1S/C18H13ClN2O2S/c19-14-5-2-1-4-13(14)18(22)21-16(12-7-9-24-11-12)10-15(20-21)17-6-3-8-23-17/h1-9,11,16H,10H2
InChIKeyYVDBYWOPWXMRNR-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.99
Rot. Bonds3

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

(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 119038819) has the molecular formula C18H13ClN2O2S and a molecular weight of 356.83 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID119038819
Molecular FormulaC18H13ClN2O2S
Molecular Weight356.83 g/mol
Exact Mass356.04
IUPAC Name(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccco2)CC1c1ccsc1
InChIInChI=1S/C18H13ClN2O2S/c19-14-5-2-1-4-13(14)18(22)21-16(12-7-9-24-11-12)10-15(20-21)17-6-3-8-23-17/h1-9,11,16H,10H2
InChIKeyYVDBYWOPWXMRNR-UHFFFAOYSA-N
XLogP4.99
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 72716842
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830
(2-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 992022
(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97306131
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 75454349
(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7454978
[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 97080916
N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 97100111
(2-chlorophenyl)-[(3S)-5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 136790920
[(3S)-3-(4-fluorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 41062784
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone (CID 119038819) is (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccccc1Cl)N1N=C(c2ccco2)CC1c1ccsc1.
What is the InChIKey of (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is YVDBYWOPWXMRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S/c19-14-5-2-1-4-13(14)18(22)21-16(12-7-9-24-11-12)10-15(20-21)17-6-3-8-23-17/h1-9,11,16H,10H2.
What are the key properties of (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 356.83 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 119038819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).