2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide

C14H15F2N3O3 — CID 5303266

IUPAC2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnn2C(F)F)cc1OC
InChIInChI=1S/C14H15F2N3O3/c1-21-11-4-3-9(7-12(11)22-2)8-17-13(20)10-5-6-18-19(10)14(15)16/h3-7,14H,8H2,1-2H3,(H,17,20)
InChIKeyVTYLVMGRXDYPNI-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.23
Rot. Bonds6

About 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 5303266) has the molecular formula C14H15F2N3O3 and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
PubChem CID5303266
Molecular FormulaC14H15F2N3O3
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnn2C(F)F)cc1OC
InChIInChI=1S/C14H15F2N3O3/c1-21-11-4-3-9(7-12(11)22-2)8-17-13(20)10-5-6-18-19(10)14(15)16/h3-7,14H,8H2,1-2H3,(H,17,20)
InChIKeyVTYLVMGRXDYPNI-UHFFFAOYSA-N
XLogP2.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46673346
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylindole-2-carboxamide
CID 55876041

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide (CID 5303266) is 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2ccnn2C(F)F)cc1OC.
What is the InChIKey of 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is VTYLVMGRXDYPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3/c1-21-11-4-3-9(7-12(11)22-2)8-17-13(20)10-5-6-18-19(10)14(15)16/h3-7,14H,8H2,1-2H3,(H,17,20).
What are the key properties of 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 5303266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).