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

C21H17ClN2O3 — CID 41209428

IUPAC(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)c1
InChIInChI=1S/C21H17ClN2O3/c1-26-17-8-3-5-14(12-17)18-13-19(20-9-4-10-27-20)24(23-18)21(25)15-6-2-7-16(22)11-15/h2-12,19H,13H2,1H3/t19-/m0/s1
InChIKeyLFZANZUVPJMDSR-IBGZPJMESA-N
MW380.83 g/mol
LogP4.93
Rot. Bonds4

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

(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 41209428) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID41209428
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)c1
InChIInChI=1S/C21H17ClN2O3/c1-26-17-8-3-5-14(12-17)18-13-19(20-9-4-10-27-20)24(23-18)21(25)15-6-2-7-16(22)11-15/h2-12,19H,13H2,1H3/t19-/m0/s1
InChIKeyLFZANZUVPJMDSR-IBGZPJMESA-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-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 7179869
[3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 27058201
[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone
CID 7186195
(3-chlorophenyl)-[(3S)-5-(furan-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 99798961
2-(3-chlorophenoxy)-1-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 7818938
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1234328
(3-bromophenyl)-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 119053300
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 42963756
[(3S)-3-(2-chloro-6-methoxyquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-chlorophenyl)methanone
CID 98262456
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
(2-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 992022
[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 75457336

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 41209428) is (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone is COc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)c1.
What is the InChIKey of (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is LFZANZUVPJMDSR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-26-17-8-3-5-14(12-17)18-13-19(20-9-4-10-27-20)24(23-18)21(25)15-6-2-7-16(22)11-15/h2-12,19H,13H2,1H3/t19-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-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)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 41209428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).