N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide

C19H17F3N4O3 — CID 26725768

IUPACN-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)13-6-7-15(26-10-3-9-24-26)14(12-13)25-17(27)5-1-8-23-18(28)16-4-2-11-29-16/h2-4,6-7,9-12H,1,5,8H2,(H,23,28)(H,25,27)
InChIKeyOYCTVYMAQQFIRT-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.63
Rot. Bonds7

About N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide

N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide (PubChem CID 26725768) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide
PubChem CID26725768
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC NameN-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)13-6-7-15(26-10-3-9-24-26)14(12-13)25-17(27)5-1-8-23-18(28)16-4-2-11-29-16/h2-4,6-7,9-12H,1,5,8H2,(H,23,28)(H,25,27)
InChIKeyOYCTVYMAQQFIRT-UHFFFAOYSA-N
XLogP3.63
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-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

N-[4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide
CID 46820133
N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]thiophene-3-carboxamide
CID 26725781
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36842338
2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 51117583
2-(3-fluoro-4-methoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725790
3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 55491975
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 55759697
2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78817314
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 46691307

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide (CID 26725768) is N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)Nc1cc(C(F)(F)F)ccc1-n1cccn1.
What is the InChIKey of N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide?
The InChIKey is OYCTVYMAQQFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c20-19(21,22)13-6-7-15(26-10-3-9-24-26)14(12-13)25-17(27)5-1-8-23-18(28)16-4-2-11-29-16/h2-4,6-7,9-12H,1,5,8H2,(H,23,28)(H,25,27).
What are the key properties of N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide?
N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide is sourced from PubChem (CID 26725768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).