N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C16H13F2N3O4 — CID 19514034

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)ccc1OC(F)F
InChIInChI=1S/C16H13F2N3O4/c1-23-14-7-9(4-5-13(14)25-16(17)18)19-15(22)11-8-10(20-21-11)12-3-2-6-24-12/h2-8,16H,1H3,(H,19,22)(H,20,21)
InChIKeyYSVROWRYBXCKRY-UHFFFAOYSA-N
MW349.29 g/mol
LogP3.53
Rot. Bonds6

About N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19514034) has the molecular formula C16H13F2N3O4 and a molecular weight of 349.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19514034
Molecular FormulaC16H13F2N3O4
Molecular Weight349.29 g/mol
Exact Mass349.09
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)ccc1OC(F)F
InChIInChI=1S/C16H13F2N3O4/c1-23-14-7-9(4-5-13(14)25-16(17)18)19-15(22)11-8-10(20-21-11)12-3-2-6-24-12/h2-8,16H,1H3,(H,19,22)(H,20,21)
InChIKeyYSVROWRYBXCKRY-UHFFFAOYSA-N
XLogP3.53
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)-6-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 51105567
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513943
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36862622
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 17023933
5-(furan-2-yl)-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-3-carboxamide
CID 166205666
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
5-(furan-2-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 146153638
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19514034) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is COc1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is YSVROWRYBXCKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O4/c1-23-14-7-9(4-5-13(14)25-16(17)18)19-15(22)11-8-10(20-21-11)12-3-2-6-24-12/h2-8,16H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 349.29 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19514034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).