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

C15H12ClN3O — CID 12972096

IUPAC[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C15H12ClN3O/c16-13-5-3-11(4-6-13)14-7-9-19(18-14)15(20)12-2-1-8-17-10-12/h1-6,8,10H,7,9H2
InChIKeyXBRCHIDIPLFYAU-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.99
Rot. Bonds2

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

[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (PubChem CID 12972096) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
PubChem CID12972096
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C15H12ClN3O/c16-13-5-3-11(4-6-13)14-7-9-19(18-14)15(20)12-2-1-8-17-10-12/h1-6,8,10H,7,9H2
InChIKeyXBRCHIDIPLFYAU-UHFFFAOYSA-N
XLogP2.99
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-propan-2-ylsulfinylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 22605740
[5-(4-butoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 22605795
[6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone
CID 22605872
[5-[4-(4-chlorophenyl)-2-sulfanylphenyl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 136613216
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] pyridine-3-carboxylate
CID 9414174
(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 22605816
3-(4-chlorophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110422121
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
(3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone
CID 163832901
N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786323
(3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
CID 10780550
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (CID 12972096) is [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The InChIKey is XBRCHIDIPLFYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-5-3-11(4-6-13)14-7-9-19(18-14)15(20)12-2-1-8-17-10-12/h1-6,8,10H,7,9H2.
What are the key properties of [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone has a molecular weight of 285.73 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 12972096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).