N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide

C13H13F2N3O2 — CID 19475661

IUPACN-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C13H13F2N3O2/c1-8-7-9(20-13(14)15)3-4-10(8)17-12(19)11-5-6-16-18(11)2/h3-7,13H,1-2H3,(H,17,19)
InChIKeyAVCVXLBHPSEPLI-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.58
Rot. Bonds4

About N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide

N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 19475661) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
PubChem CID19475661
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC NameN-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C13H13F2N3O2/c1-8-7-9(20-13(14)15)3-4-10(8)17-12(19)11-5-6-16-18(11)2/h3-7,13H,1-2H3,(H,17,19)
InChIKeyAVCVXLBHPSEPLI-UHFFFAOYSA-N
XLogP2.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-2-methylphenyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478445
[4-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methanone
CID 114972533
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide
CID 137498259
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472160
N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 137425355
4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 110467173
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19452486
2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide
CID 137425143

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide (CID 19475661) is N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide is Cc1cc(OC(F)F)ccc1NC(=O)c1ccnn1C.
What is the InChIKey of N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is AVCVXLBHPSEPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-8-7-9(20-13(14)15)3-4-10(8)17-12(19)11-5-6-16-18(11)2/h3-7,13H,1-2H3,(H,17,19).
What are the key properties of N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide?
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 281.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19475661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).