N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide

C15H17F2N3O3 — CID 19280878

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(OC(F)F)c(OC)c2)c1C
InChIInChI=1S/C15H17F2N3O3/c1-4-20-9(2)11(8-18-20)14(21)19-10-5-6-12(23-15(16)17)13(7-10)22-3/h5-8,15H,4H2,1-3H3,(H,19,21)
InChIKeyHITPNSHELZRJPK-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.07
Rot. Bonds6

About N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide

N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 19280878) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID19280878
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(OC(F)F)c(OC)c2)c1C
InChIInChI=1S/C15H17F2N3O3/c1-4-20-9(2)11(8-18-20)14(21)19-10-5-6-12(23-15(16)17)13(7-10)22-3/h5-8,15H,4H2,1-3H3,(H,19,21)
InChIKeyHITPNSHELZRJPK-UHFFFAOYSA-N
XLogP3.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.07
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-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide (CID 19280878) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccc(OC(F)F)c(OC)c2)c1C.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is HITPNSHELZRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-4-20-9(2)11(8-18-20)14(21)19-10-5-6-12(23-15(16)17)13(7-10)22-3/h5-8,15H,4H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.07, 6 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-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19280878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).