4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride

C9H12Cl2F3N3 — CID 170922287

IUPAC4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride
SMILESCl.Nc1nn(C2CCCC2)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H11ClF3N3.ClH/c10-6-7(9(11,12)13)16(15-8(6)14)5-3-1-2-4-5;/h5H,1-4H2,(H2,14,15);1H
InChIKeyRRBSFPAGRSACDB-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.67
Rot. Bonds1

About 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride

4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride (PubChem CID 170922287) has the molecular formula C9H12Cl2F3N3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride
PubChem CID170922287
Molecular FormulaC9H12Cl2F3N3
Molecular Weight290.12 g/mol
Exact Mass289.04
IUPAC Name4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride
SMILESCl.Nc1nn(C2CCCC2)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H11ClF3N3.ClH/c10-6-7(9(11,12)13)16(15-8(6)14)5-3-1-2-4-5;/h5H,1-4H2,(H2,14,15);1H
InChIKeyRRBSFPAGRSACDB-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride (CID 170922287) is 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride is Cl.Nc1nn(C2CCCC2)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride?
The InChIKey is RRBSFPAGRSACDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3.ClH/c10-6-7(9(11,12)13)16(15-8(6)14)5-3-1-2-4-5;/h5H,1-4H2,(H2,14,15);1H.
What are the key properties of 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride?
4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride has a molecular weight of 290.12 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 170922287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).