1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C14H16F3N3O3 — CID 111482668

IUPAC1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCC(C)(O)c2ccco2)c1C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-3-20-11(14(15,16)17)9(7-19-20)12(21)18-8-13(2,22)10-5-4-6-23-10/h4-7,22H,3,8H2,1-2H3,(H,18,21)
InChIKeyWBWNRPHVJUWZAE-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.15
Rot. Bonds5

About 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 111482668) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID111482668
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCC(C)(O)c2ccco2)c1C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-3-20-11(14(15,16)17)9(7-19-20)12(21)18-8-13(2,22)10-5-4-6-23-10/h4-7,22H,3,8H2,1-2H3,(H,18,21)
InChIKeyWBWNRPHVJUWZAE-UHFFFAOYSA-N
XLogP2.15
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 111482271
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 109477092
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 111482118

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 111482668) is 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CCn1ncc(C(=O)NCC(C)(O)c2ccco2)c1C(F)(F)F.
What is the InChIKey of 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WBWNRPHVJUWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-3-20-11(14(15,16)17)9(7-19-20)12(21)18-8-13(2,22)10-5-4-6-23-10/h4-7,22H,3,8H2,1-2H3,(H,18,21).
What are the key properties of 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111482668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).