N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C11H10F3N3O2 — CID 54877126

IUPACN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-17(6-9-2-1-3-19-9)10(18)8-4-15-16-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyAFENNUVQIWRZJS-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.21
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54877126) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID54877126
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC NameN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-17(6-9-2-1-3-19-9)10(18)8-4-15-16-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyAFENNUVQIWRZJS-UHFFFAOYSA-N
XLogP2.21
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 60682663
N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103764896
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914
3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66483339
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959380
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452898
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63714473
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 54877126) is N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is O=C(c1cn[nH]c1)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AFENNUVQIWRZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)7-17(6-9-2-1-3-19-9)10(18)8-4-15-16-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 273.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54877126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).