N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C13H15F2N3O3 — CID 107482794

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccc(Cn2cccn2)o1)N(CCO)CC(F)F
InChIInChI=1S/C13H15F2N3O3/c14-12(15)9-17(6-7-19)13(20)11-3-2-10(21-11)8-18-5-1-4-16-18/h1-5,12,19H,6-9H2
InChIKeyYMWILIZODIDDEU-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.22
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 107482794) has the molecular formula C13H15F2N3O3 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID107482794
Molecular FormulaC13H15F2N3O3
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccc(Cn2cccn2)o1)N(CCO)CC(F)F
InChIInChI=1S/C13H15F2N3O3/c14-12(15)9-17(6-7-19)13(20)11-3-2-10(21-11)8-18-5-1-4-16-18/h1-5,12,19H,6-9H2
InChIKeyYMWILIZODIDDEU-UHFFFAOYSA-N
XLogP1.22
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43356187
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 107481821
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
N-(2-hydroxyethyl)-5-[(2-oxo-1-pyridinyl)methyl]-N-propylfuran-2-carboxamide
CID 110887129
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646764
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide
CID 107482872
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 62372378

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 107482794) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(c1ccc(Cn2cccn2)o1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is YMWILIZODIDDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3/c14-12(15)9-17(6-7-19)13(20)11-3-2-10(21-11)8-18-5-1-4-16-18/h1-5,12,19H,6-9H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 107482794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).