5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

C15H16F4N4O — CID 134508377

IUPAC5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCCc1nn(C(C)c2ccc(C(F)(F)F)cc2F)c(N)c1C(N)=O
InChIInChI=1S/C15H16F4N4O/c1-3-11-12(14(21)24)13(20)23(22-11)7(2)9-5-4-8(6-10(9)16)15(17,18)19/h4-7H,3,20H2,1-2H3,(H2,21,24)
InChIKeyNMFFMRHRSROAKR-UHFFFAOYSA-N
MW344.31 g/mol
LogP2.89
Rot. Bonds4

About 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 134508377) has the molecular formula C15H16F4N4O and a molecular weight of 344.31 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID134508377
Molecular FormulaC15H16F4N4O
Molecular Weight344.31 g/mol
Exact Mass344.13
IUPAC Name5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCCc1nn(C(C)c2ccc(C(F)(F)F)cc2F)c(N)c1C(N)=O
InChIInChI=1S/C15H16F4N4O/c1-3-11-12(14(21)24)13(20)23(22-11)7(2)9-5-4-8(6-10(9)16)15(17,18)19/h4-7H,3,20H2,1-2H3,(H2,21,24)
InChIKeyNMFFMRHRSROAKR-UHFFFAOYSA-N
XLogP2.89
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]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

5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide
CID 134508383
5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 134508370
6-(dimethylamino)-1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-3-(hydroxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276342
ethyl (3R)-3-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoate
CID 171207391
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
2-fluoro-1-pentan-3-yl-4-(trifluoromethyl)benzene
CID 162605330
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171226937
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 171207355
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171207363
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207356
methyl 3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171864579

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 134508377) is 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide is CCc1nn(C(C)c2ccc(C(F)(F)F)cc2F)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is NMFFMRHRSROAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N4O/c1-3-11-12(14(21)24)13(20)23(22-11)7(2)9-5-4-8(6-10(9)16)15(17,18)19/h4-7H,3,20H2,1-2H3,(H2,21,24).
What are the key properties of 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 344.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134508377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).