2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide

C18H15F2N3O — CID 17088808

IUPAC2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1Cn1ccc(NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C18H15F2N3O/c1-12-5-2-3-6-13(12)11-23-10-9-16(22-23)21-18(24)17-14(19)7-4-8-15(17)20/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyQCFXAKCBTAADCX-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.77
Rot. Bonds4

About 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide

2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 17088808) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID17088808
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1Cn1ccc(NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C18H15F2N3O/c1-12-5-2-3-6-13(12)11-23-10-9-16(22-23)21-18(24)17-14(19)7-4-8-15(17)20/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyQCFXAKCBTAADCX-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
CID 35274045
1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19474492
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19286047
4-iodo-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264112
4-bromo-1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-5-carboxamide
CID 19480334
4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 1223563
N-[1-[[5-amino-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide
CID 59547994
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
2-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500485
3-(2-chloro-6-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489476
1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274053

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 17088808) is 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1ccccc1Cn1ccc(NC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is QCFXAKCBTAADCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-12-5-2-3-6-13(12)11-23-10-9-16(22-23)21-18(24)17-14(19)7-4-8-15(17)20/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 17088808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).