5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

C10H11F3N4 — CID 19432753

IUPAC5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(C2CCCC2)c1N
InChIInChI=1S/C10H11F3N4/c11-10(12,13)8-7(5-14)9(15)17(16-8)6-3-1-2-4-6/h6H,1-4,15H2
InChIKeyMOLANCHDLJYNCU-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.47
Rot. Bonds1

About 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 19432753) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID19432753
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(C2CCCC2)c1N
InChIInChI=1S/C10H11F3N4/c11-10(12,13)8-7(5-14)9(15)17(16-8)6-3-1-2-4-6/h6H,1-4,15H2
InChIKeyMOLANCHDLJYNCU-UHFFFAOYSA-N
XLogP2.47
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 219870
5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile
CID 799242
5-Amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 18993710
5-Amino-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 22079581
5-Amino-1-cyclohexyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 67717841
5-Amino-1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 85701622
5-Amino-1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100762268
5-Amino-1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100763031
5-Amino-1-tert-butyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100763218
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032
2-cyclopentyl-N,4-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 139354629
1-Tert-butyl-5-(methylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697474

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 19432753) is 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is N#Cc1c(C(F)(F)F)nn(C2CCCC2)c1N.
What is the InChIKey of 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is MOLANCHDLJYNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c11-10(12,13)8-7(5-14)9(15)17(16-8)6-3-1-2-4-6/h6H,1-4,15H2.
What are the key properties of 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 244.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 19432753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).