2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide

C21H21F2N3O2 — CID 19337933

IUPAC2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(Cn2nc(C)c(NC(=O)c3ccccc3OC(F)F)c2C)cc1
InChIInChI=1S/C21H21F2N3O2/c1-13-8-10-16(11-9-13)12-26-15(3)19(14(2)25-26)24-20(27)17-6-4-5-7-18(17)28-21(22)23/h4-11,21H,12H2,1-3H3,(H,24,27)
InChIKeyQYDZESGXTSELAE-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.71
Rot. Bonds6

About 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide

2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19337933) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19337933
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(Cn2nc(C)c(NC(=O)c3ccccc3OC(F)F)c2C)cc1
InChIInChI=1S/C21H21F2N3O2/c1-13-8-10-16(11-9-13)12-26-15(3)19(14(2)25-26)24-20(27)17-6-4-5-7-18(17)28-21(22)23/h4-11,21H,12H2,1-3H3,(H,24,27)
InChIKeyQYDZESGXTSELAE-UHFFFAOYSA-N
XLogP4.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-methylbenzoyl)benzamide
CID 19335881
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393007
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19338014
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19409797
1-[2-(difluoromethoxy)-4-methylphenyl]-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19342489
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(difluoromethoxy)benzamide
CID 19411853
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-fluorobenzamide
CID 17088813
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
3-(difluoromethoxy)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346556
methyl 2-[[4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406723

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 19337933) is 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide is Cc1ccc(Cn2nc(C)c(NC(=O)c3ccccc3OC(F)F)c2C)cc1.
What is the InChIKey of 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is QYDZESGXTSELAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-13-8-10-16(11-9-13)12-26-15(3)19(14(2)25-26)24-20(27)17-6-4-5-7-18(17)28-21(22)23/h4-11,21H,12H2,1-3H3,(H,24,27).
What are the key properties of 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 385.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19337933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).