3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide

C18H13F2N3O4 — CID 19513329

IUPAC3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc(-c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C18H13F2N3O4/c19-18(20)27-14-4-2-1-3-11(14)21-17(24)13-8-12(22-23-13)10-5-6-15-16(7-10)26-9-25-15/h1-8,18H,9H2,(H,21,24)(H,22,23)
InChIKeyGWTFNCYRLZKUCH-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.66
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide

3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19513329) has the molecular formula C18H13F2N3O4 and a molecular weight of 373.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19513329
Molecular FormulaC18H13F2N3O4
Molecular Weight373.32 g/mol
Exact Mass373.09
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc(-c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C18H13F2N3O4/c19-18(20)27-14-4-2-1-3-11(14)21-17(24)13-8-12(22-23-13)10-5-6-15-16(7-10)26-9-25-15/h1-8,18H,9H2,(H,21,24)(H,22,23)
InChIKeyGWTFNCYRLZKUCH-UHFFFAOYSA-N
XLogP3.66
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide
CID 19513359
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513234
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
3-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-1H-pyrazole-5-carboxamide
CID 46969654
3-(1,3-benzodioxol-5-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19513305
3-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19513232
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19465619
3-(1,3-benzodioxol-5-yl)-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 19513302
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
3-(1,3-benzodioxol-5-yl)-N-[(6-methylpyrimidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122263513
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 19513329) is 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccc3c(c2)OCO3)n[nH]1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GWTFNCYRLZKUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O4/c19-18(20)27-14-4-2-1-3-11(14)21-17(24)13-8-12(22-23-13)10-5-6-15-16(7-10)26-9-25-15/h1-8,18H,9H2,(H,21,24)(H,22,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 373.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).