N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C13H14F2N4O2 — CID 129017185

IUPACN-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)nc2C(F)F)c(N)c1
InChIInChI=1S/C13H14F2N4O2/c1-19-6-8(11(18-19)12(14)15)13(20)17-10-4-3-7(21-2)5-9(10)16/h3-6,12H,16H2,1-2H3,(H,17,20)
InChIKeyHYAQHRYSLCFZOV-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.20
Rot. Bonds4

About N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 129017185) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID129017185
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)nc2C(F)F)c(N)c1
InChIInChI=1S/C13H14F2N4O2/c1-19-6-8(11(18-19)12(14)15)13(20)17-10-4-3-7(21-2)5-9(10)16/h3-6,12H,16H2,1-2H3,(H,17,20)
InChIKeyHYAQHRYSLCFZOV-UHFFFAOYSA-N
XLogP2.20
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
CID 5301257
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4464934
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943482
1-(4-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327058
1-(2-(pyridin-4-yl)ethyl)-N-(3-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431900
1-methyl-4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439467
N-ethyl-1-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 46883832
N-(3,4-dimethoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850904

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 129017185) is N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(C)nc2C(F)F)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is HYAQHRYSLCFZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-19-6-8(11(18-19)12(14)15)13(20)17-10-4-3-7(21-2)5-9(10)16/h3-6,12H,16H2,1-2H3,(H,17,20).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 129017185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).