3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C12H11F2N3O — CID 60736056

IUPAC3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3O/c1-7-9(6-16-17-7)5-15-12(18)8-2-3-10(13)11(14)4-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17)
InChIKeyBULNFYOHYFMHDF-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.93
Rot. Bonds3

About 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 60736056) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID60736056
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3O/c1-7-9(6-16-17-7)5-15-12(18)8-2-3-10(13)11(14)4-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17)
InChIKeyBULNFYOHYFMHDF-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
3,5-difluoro-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63185983
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998598
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896384
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896754
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712117
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
CID 61021408
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62178161

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 60736056) is 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1[nH]ncc1CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is BULNFYOHYFMHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-9(6-16-17-7)5-15-12(18)8-2-3-10(13)11(14)4-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 251.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 60736056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).