2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine

C11H16F3N3 — CID 144862318

IUPAC2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1c(CC(F)(F)F)nn(C2CCCC2)c1N
InChIInChI=1S/C11H16F3N3/c1-7-9(6-11(12,13)14)16-17(10(7)15)8-4-2-3-5-8/h8H,2-6,15H2,1H3
InChIKeyPLJDJHHQXQUXNT-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.99
Rot. Bonds2

About 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine

2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 144862318) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID144862318
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1c(CC(F)(F)F)nn(C2CCCC2)c1N
InChIInChI=1S/C11H16F3N3/c1-7-9(6-11(12,13)14)16-17(10(7)15)8-4-2-3-5-8/h8H,2-6,15H2,1H3
InChIKeyPLJDJHHQXQUXNT-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mls002707355
CID 276384
2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine
CID 16227065
5-Ethyl-2,4-dimethyl-2H-pyrazol-3-ylamine hydrochloride
CID 16192886
1,3-bis(propan-2-yl)-1H-pyrazol-5-amine
CID 12763781
3-ethyl-1,4-dimethyl-1H-pyrazol-5-amine
CID 1128420
Pyrazole, 5-amino-3-ethyl-1-isopropyl-4-methyl-
CID 210142
3-tert-Butyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45926014
2-(propan-2-yl)-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine
CID 65348359
5-(2,2-dimethylhydrazinyl)-1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole
CID 536804
Pyrazole, 3-pentafluoroethyl-4-trifluoromethyl-1-methyl-5-methylamino-
CID 626727
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 22101084
5,5-difluoro-2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 165463441

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 144862318) is 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine is Cc1c(CC(F)(F)F)nn(C2CCCC2)c1N.
What is the InChIKey of 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is PLJDJHHQXQUXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-9(6-11(12,13)14)16-17(10(7)15)8-4-2-3-5-8/h8H,2-6,15H2,1H3.
What are the key properties of 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine?
2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 247.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 144862318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).