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

C18H13ClN2O3 — CID 3248551

IUPAC[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C18H13ClN2O3/c19-13-7-5-12(6-8-13)14-11-15(16-3-1-9-23-16)21(20-14)18(22)17-4-2-10-24-17/h1-10,15H,11H2
InChIKeyULJCZWDQKOAOPP-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.52
Rot. Bonds3

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

[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 3248551) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID3248551
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C18H13ClN2O3/c19-13-7-5-12(6-8-13)14-11-15(16-3-1-9-23-16)21(20-14)18(22)17-4-2-10-24-17/h1-10,15H,11H2
InChIKeyULJCZWDQKOAOPP-UHFFFAOYSA-N
XLogP4.52
TPSA58.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 2952169
Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-furylmethyl)-N-methylacetamide
CID 4293941
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 5908036
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158108
1-[5-(4-Chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3582260
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 3831781
2-chloro-1-(3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 5019322
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)(tetrahydrofuran-2-yl)methanone
CID 3153481
[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3158125
(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 3457487

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 3248551) is [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is ULJCZWDQKOAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-13-7-5-12(6-8-13)14-11-15(16-3-1-9-23-16)21(20-14)18(22)17-4-2-10-24-17/h1-10,15H,11H2.
What are the key properties of [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 340.77 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 3248551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).