5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide

C18H17F2N3O3 — CID 13191308

IUPAC5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3ccc(OC(F)F)cc3)=N2)cc1
InChIInChI=1S/C18H17F2N3O3/c1-25-14-8-4-13(5-9-14)21-18(24)23-11-10-16(22-23)12-2-6-15(7-3-12)26-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,24)
InChIKeyNPBHJVYFPJHRJY-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.94
Rot. Bonds5

About 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide

5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 13191308) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID13191308
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3ccc(OC(F)F)cc3)=N2)cc1
InChIInChI=1S/C18H17F2N3O3/c1-25-14-8-4-13(5-9-14)21-18(24)23-11-10-16(22-23)12-2-6-15(7-3-12)26-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,24)
InChIKeyNPBHJVYFPJHRJY-UHFFFAOYSA-N
XLogP3.94
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 13191308) is 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide is COc1ccc(NC(=O)N2CCC(c3ccc(OC(F)F)cc3)=N2)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is NPBHJVYFPJHRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-25-14-8-4-13(5-9-14)21-18(24)23-11-10-16(22-23)12-2-6-15(7-3-12)26-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,24).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 13191308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).