N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide

C13H13F2N3O3 — CID 56819999

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn[nH]c2C)cc1OC(F)F
InChIInChI=1S/C13H13F2N3O3/c1-7-9(6-16-18-7)12(19)17-8-3-4-10(20-2)11(5-8)21-13(14)15/h3-6,13H,1-2H3,(H,16,18)(H,17,19)
InChIKeyLAJQNVGMOFXTPI-UHFFFAOYSA-N
MW297.26 g/mol
LogP2.58
Rot. Bonds5

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 56819999) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID56819999
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn[nH]c2C)cc1OC(F)F
InChIInChI=1S/C13H13F2N3O3/c1-7-9(6-16-18-7)12(19)17-8-3-4-10(20-2)11(5-8)21-13(14)15/h3-6,13H,1-2H3,(H,16,18)(H,17,19)
InChIKeyLAJQNVGMOFXTPI-UHFFFAOYSA-N
XLogP2.58
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 56819999) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn[nH]c2C)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LAJQNVGMOFXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3/c1-7-9(6-16-18-7)12(19)17-8-3-4-10(20-2)11(5-8)21-13(14)15/h3-6,13H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 297.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56819999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).