N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C16H13F2N3O2 — CID 87036753

IUPACN-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCc1c(F)cccc1F)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H13F2N3O2/c17-11-3-1-4-12(18)10(11)6-7-19-16(22)14-9-13(20-21-14)15-5-2-8-23-15/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21)
InChIKeyNOYJCDUDXZUZEE-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 87036753) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.29 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID87036753
Molecular FormulaC16H13F2N3O2
Molecular Weight317.29 g/mol
Exact Mass317.10
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCc1c(F)cccc1F)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H13F2N3O2/c17-11-3-1-4-12(18)10(11)6-7-19-16(22)14-9-13(20-21-14)15-5-2-8-23-15/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21)
InChIKeyNOYJCDUDXZUZEE-UHFFFAOYSA-N
XLogP2.92
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970
5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 86984728
5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119393280
5-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121119296
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 87036753) is N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(NCCc1c(F)cccc1F)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is NOYJCDUDXZUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c17-11-3-1-4-12(18)10(11)6-7-19-16(22)14-9-13(20-21-14)15-5-2-8-23-15/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 87036753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).