3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile

C13H12F3N5 — CID 10565785

IUPAC3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESCCNc1n[nH]c(Nc2ccc(C(F)(F)F)cc2)c1C#N
InChIInChI=1S/C13H12F3N5/c1-2-18-11-10(7-17)12(21-20-11)19-9-5-3-8(4-6-9)13(14,15)16/h3-6H,2H2,1H3,(H3,18,19,20,21)
InChIKeyDIHACOIRVCBWID-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.48
Rot. Bonds4

About 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile

3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (PubChem CID 10565785) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
PubChem CID10565785
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESCCNc1n[nH]c(Nc2ccc(C(F)(F)F)cc2)c1C#N
InChIInChI=1S/C13H12F3N5/c1-2-18-11-10(7-17)12(21-20-11)19-9-5-3-8(4-6-9)13(14,15)16/h3-6H,2H2,1H3,(H3,18,19,20,21)
InChIKeyDIHACOIRVCBWID-UHFFFAOYSA-N
XLogP3.48
TPSA76.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile 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

3-Amino-5-(phenylamino)-1H-pyrazole-4-carbonitrile
CID 4164367
5-Amino-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10515945
5-Methyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10825617
3-amino-5-(4-fluoro-3-methylanilino)-1-methyl-1H-pyrazole-4-carbonitrile
CID 3782177
5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile
CID 3582366
5-amino-3-(4-fluoro-3-methylanilino)-1-methyl-1H-pyrazole-4-carbonitrile
CID 3782110
3-(4-tert-Butyl-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10491179
3-(4-Fluoro-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10512886
5-Cyclopentyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10519719
(4,5,6,7-Tetrahydro-1H-indazol-3-yl)-(4-trifluoromethyl-phenyl)-amine
CID 10540764
5-Isopropyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10565707
3-(4-Cyano-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10680597

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (CID 10565785) is 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is CCNc1n[nH]c(Nc2ccc(C(F)(F)F)cc2)c1C#N.
What is the InChIKey of 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The InChIKey is DIHACOIRVCBWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c1-2-18-11-10(7-17)12(21-20-11)19-9-5-3-8(4-6-9)13(14,15)16/h3-6H,2H2,1H3,(H3,18,19,20,21).
What are the key properties of 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile has a molecular weight of 295.27 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10565785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).