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

C21H17ClN2O3 — CID 99798961

IUPAC(3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN2O3/c1-26-19-9-3-2-8-16(19)18-13-17(20-10-5-11-27-20)23-24(18)21(25)14-6-4-7-15(22)12-14/h2-12,18H,13H2,1H3/t18-/m0/s1
InChIKeyMGPPTZWDYJLSOQ-SFHVURJKSA-N
MW380.83 g/mol
LogP4.93
Rot. Bonds4

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

(3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 99798961) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID99798961
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name(3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN2O3/c1-26-19-9-3-2-8-16(19)18-13-17(20-10-5-11-27-20)23-24(18)21(25)14-6-4-7-15(22)12-14/h2-12,18H,13H2,1H3/t18-/m0/s1
InChIKeyMGPPTZWDYJLSOQ-SFHVURJKSA-N
XLogP4.93
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41209428
furan-2-yl-[(3R)-5-(furan-2-yl)-3-(2-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41105781
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1234328
[(3S)-3-(2,4-dichlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 7470951
1-[(3R)-3-(2,4-dichlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 949988
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 7179869
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
(2-chlorophenyl)-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 72716842
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741
[5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-nitrophenyl)methanone
CID 4073095
1-[3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 47017228

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 99798961) is (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone is COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is MGPPTZWDYJLSOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-26-19-9-3-2-8-16(19)18-13-17(20-10-5-11-27-20)23-24(18)21(25)14-6-4-7-15(22)12-14/h2-12,18H,13H2,1H3/t18-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
(3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 380.83 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 99798961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).