5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide

C12H12F2N4O2 — CID 115330375

IUPAC5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(OC(F)F)cc2)c1N
InChIInChI=1S/C12H12F2N4O2/c1-18-10(15)9(6-16-18)11(19)17-7-2-4-8(5-3-7)20-12(13)14/h2-6,12H,15H2,1H3,(H,17,19)
InChIKeyONCAQLZJKBZJEB-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.86
Rot. Bonds4

About 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 115330375) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID115330375
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(OC(F)F)cc2)c1N
InChIInChI=1S/C12H12F2N4O2/c1-18-10(15)9(6-16-18)11(19)17-7-2-4-8(5-3-7)20-12(13)14/h2-6,12H,15H2,1H3,(H,17,19)
InChIKeyONCAQLZJKBZJEB-UHFFFAOYSA-N
XLogP1.86
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494265
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide
CID 138595893
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 97306008
6-amino-N-[4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62154747
2-amino-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 107073991
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 115330655
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide (CID 115330375) is 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(OC(F)F)cc2)c1N.
What is the InChIKey of 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ONCAQLZJKBZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-18-10(15)9(6-16-18)11(19)17-7-2-4-8(5-3-7)20-12(13)14/h2-6,12H,15H2,1H3,(H,17,19).
What are the key properties of 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).