[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone

C15H10F2N4O — CID 141433536

IUPAC[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)c1ccn(Cc2cc(F)ccc2F)n1
InChIInChI=1S/C15H10F2N4O/c16-12-1-2-13(17)10(5-12)8-21-4-3-14(20-21)15(22)11-6-18-9-19-7-11/h1-7,9H,8H2
InChIKeyYKURLAKTNKEBCL-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.23
Rot. Bonds4

About [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone

[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone (PubChem CID 141433536) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone
PubChem CID141433536
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC Name[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)c1ccn(Cc2cc(F)ccc2F)n1
InChIInChI=1S/C15H10F2N4O/c16-12-1-2-13(17)10(5-12)8-21-4-3-14(20-21)15(22)11-6-18-9-19-7-11/h1-7,9H,8H2
InChIKeyYKURLAKTNKEBCL-UHFFFAOYSA-N
XLogP2.23
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[5-[1-[(2,5-difluorophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 123527015
[(1R,2S,4R)-4-[[5-[1-[(2,5-difluorophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 151368323
[(1R,2S,4R)-4-[[5-[1-[(2,4-difluorophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 90468713
1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 90351323
2-(2,5-difluorophenyl)acetamide
CID 21245498
5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 28871478
pentapotassium;gadolinium(3+);bis(1-[[2,4,5-tris[(3-carboxylatopyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxylate)
CID 11981372
(4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone
CID 141433603
1-[(2,5-difluorophenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950000
methyl 1-[(2,5-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxylate
CID 95921264
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 4773476
1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 103038432

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone (CID 141433536) is [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)c1ccn(Cc2cc(F)ccc2F)n1.
What is the InChIKey of [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone?
The InChIKey is YKURLAKTNKEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-12-1-2-13(17)10(5-12)8-21-4-3-14(20-21)15(22)11-6-18-9-19-7-11/h1-7,9H,8H2.
What are the key properties of [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone?
[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone has a molecular weight of 300.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 141433536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).