1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide

C12H11F2N3O — CID 90351323

IUPAC1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1Cc1cc(F)ccc1F
InChIInChI=1S/C12H11F2N3O/c1-7-4-11(12(15)18)16-17(7)6-8-5-9(13)2-3-10(8)14/h2-5H,6H2,1H3,(H2,15,18)
InChIKeyPUOYFVHFKMIMOS-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.62
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide

1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide (PubChem CID 90351323) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
PubChem CID90351323
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1Cc1cc(F)ccc1F
InChIInChI=1S/C12H11F2N3O/c1-7-4-11(12(15)18)16-17(7)6-8-5-9(13)2-3-10(8)14/h2-5H,6H2,1H3,(H2,15,18)
InChIKeyPUOYFVHFKMIMOS-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methylphenyl)methyl]-5-methylpyrazole-3-carboxamide;2-methylbutane
CID 143316463
1-[[2-[(4-chlorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11257347
1-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 139467373
[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 54970732
1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11383800
3,5-dibromo-1-[(2,5-difluorophenyl)methyl]pyrazole
CID 114692696
4-bromo-1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128749
2-(2,5-difluorophenyl)acetamide
CID 21245498
1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
CID 51000352
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide
CID 25006991
2-[(3-amino-5-methylpyrazol-1-yl)methyl]-4-fluorobenzonitrile
CID 114253268

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide (CID 90351323) is 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is PUOYFVHFKMIMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-4-11(12(15)18)16-17(7)6-8-5-9(13)2-3-10(8)14/h2-5H,6H2,1H3,(H2,15,18).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide?
1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 90351323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).