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

C20H15FN4O — CID 11824164

IUPAC[3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1N=C(c2ccccn2)CC1c1ccccc1F
InChIInChI=1S/C20H15FN4O/c21-16-6-2-1-5-15(16)19-13-18(17-7-3-4-10-23-17)24-25(19)20(26)14-8-11-22-12-9-14/h1-12,19H,13H2
InChIKeyPXVLYCOTWHVBPD-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.61
Rot. Bonds3

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

[3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (PubChem CID 11824164) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
PubChem CID11824164
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name[3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1N=C(c2ccccn2)CC1c1ccccc1F
InChIInChI=1S/C20H15FN4O/c21-16-6-2-1-5-15(16)19-13-18(17-7-3-4-10-23-17)24-25(19)20(26)14-8-11-22-12-9-14/h1-12,19H,13H2
InChIKeyPXVLYCOTWHVBPD-UHFFFAOYSA-N
XLogP3.61
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 7393554
[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 3760620
4-[(3S)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 6945845
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54580078
2-[2-[(3R)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetohydrazide
CID 41130391
1-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7220051
3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 52952889
2-[2-[(3R)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 100706177
[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 42108901
[5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 3734456
2-pyridin-2-yl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazolin-5-one
CID 10611646
5-[(3S)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate
CID 7058553

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (CID 11824164) is [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1N=C(c2ccccn2)CC1c1ccccc1F.
What is the InChIKey of [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The InChIKey is PXVLYCOTWHVBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-16-6-2-1-5-15(16)19-13-18(17-7-3-4-10-23-17)24-25(19)20(26)14-8-11-22-12-9-14/h1-12,19H,13H2.
What are the key properties of [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
[3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone has a molecular weight of 346.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 11824164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).