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

C19H14ClN3O2 — CID 127033187

IUPAC[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C19H14ClN3O2/c20-15-5-3-13(4-6-15)16-12-17(18-2-1-11-25-18)23(22-16)19(24)14-7-9-21-10-8-14/h1-11,17H,12H2
InChIKeyJUEFDUSBQBSLFK-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.32
Rot. Bonds3

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

[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (PubChem CID 127033187) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
PubChem CID127033187
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C19H14ClN3O2/c20-15-5-3-13(4-6-15)16-12-17(18-2-1-11-25-18)23(22-16)19(24)14-7-9-21-10-8-14/h1-11,17H,12H2
InChIKeyJUEFDUSBQBSLFK-UHFFFAOYSA-N
XLogP4.32
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (CID 127033187) is [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The InChIKey is JUEFDUSBQBSLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-5-3-13(4-6-15)16-12-17(18-2-1-11-25-18)23(22-16)19(24)14-7-9-21-10-8-14/h1-11,17H,12H2.
What are the key properties of [5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone has a molecular weight of 351.79 g/mol, XLogP of 4.32, 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]-pyridin-4-ylmethanone is sourced from PubChem (CID 127033187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).