N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide

C14H15F2N3O3 — CID 19474970

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(C)nc2C)ccc1OC(F)F
InChIInChI=1S/C14H15F2N3O3/c1-8-10(7-19(2)18-8)13(20)17-9-4-5-11(22-14(15)16)12(6-9)21-3/h4-7,14H,1-3H3,(H,17,20)
InChIKeyVEBZZLZKBABNFG-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.59
Rot. Bonds5

About N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide

N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 19474970) has the molecular formula C14H15F2N3O3 and a molecular weight of 311.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID19474970
Molecular FormulaC14H15F2N3O3
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(C)nc2C)ccc1OC(F)F
InChIInChI=1S/C14H15F2N3O3/c1-8-10(7-19(2)18-8)13(20)17-9-4-5-11(22-14(15)16)12(6-9)21-3/h4-7,14H,1-3H3,(H,17,20)
InChIKeyVEBZZLZKBABNFG-UHFFFAOYSA-N
XLogP2.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 19474970) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide is COc1cc(NC(=O)c2cn(C)nc2C)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VEBZZLZKBABNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3/c1-8-10(7-19(2)18-8)13(20)17-9-4-5-11(22-14(15)16)12(6-9)21-3/h4-7,14H,1-3H3,(H,17,20).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).