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

C16H15F3N4 — CID 10519719

IUPAC5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1C1CCCC1
InChIInChI=1S/C16H15F3N4/c17-16(18,19)11-5-7-12(8-6-11)21-15-13(9-20)14(22-23-15)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,21,22,23)
InChIKeyNXRYQCUIWXFJHK-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.70
Rot. Bonds3

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

5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (PubChem CID 10519719) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
PubChem CID10519719
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1C1CCCC1
InChIInChI=1S/C16H15F3N4/c17-16(18,19)11-5-7-12(8-6-11)21-15-13(9-20)14(22-23-15)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,21,22,23)
InChIKeyNXRYQCUIWXFJHK-UHFFFAOYSA-N
XLogP4.70
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile
CID 3582366
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
(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
5-Ethylamino-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10565785
3-(4-Cyano-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10680597
3-(3,5-Bis-trifluoromethyl-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10711746
5-tert-Butyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10828593

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (CID 10519719) is 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The InChIKey is NXRYQCUIWXFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c17-16(18,19)11-5-7-12(8-6-11)21-15-13(9-20)14(22-23-15)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,21,22,23).
What are the key properties of 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile has a molecular weight of 320.32 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10519719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).