[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

C19H14FN3OS — CID 3144558

IUPAC[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H14FN3OS/c20-15-7-5-13(6-8-15)17-11-16(18-4-2-10-25-18)22-23(17)19(24)14-3-1-9-21-12-14/h1-10,12,17H,11H2
InChIKeyDMJUMMPAIUUZTP-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.27
Rot. Bonds3

About [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (PubChem CID 3144558) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
PubChem CID3144558
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H14FN3OS/c20-15-7-5-13(6-8-15)17-11-16(18-4-2-10-25-18)22-23(17)19(24)14-3-1-9-21-12-14/h1-10,12,17H,11H2
InChIKeyDMJUMMPAIUUZTP-UHFFFAOYSA-N
XLogP4.27
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (CID 3144558) is [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The InChIKey is DMJUMMPAIUUZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c20-15-7-5-13(6-8-15)17-11-16(18-4-2-10-25-18)22-23(17)19(24)14-3-1-9-21-12-14/h1-10,12,17H,11H2.
What are the key properties of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 3144558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).