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

C9H11ClF3N3 — CID 164664668

IUPAC4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESNc1nn(C2CCCC2)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H11ClF3N3/c10-6-7(9(11,12)13)16(15-8(6)14)5-3-1-2-4-5/h5H,1-4H2,(H2,14,15)
InChIKeyHNVHMGLOUDSHJI-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.25
Rot. Bonds1

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

4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 164664668) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID164664668
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESNc1nn(C2CCCC2)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H11ClF3N3/c10-6-7(9(11,12)13)16(15-8(6)14)5-3-1-2-4-5/h5H,1-4H2,(H2,14,15)
InChIKeyHNVHMGLOUDSHJI-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1,5-dimethyl-1H-pyrazol-3-amine
CID 19616929
4-chloro-3-(difluoromethyl)-1-methyl-1H-pyrazol-5-amine
CID 151231044
3-Amino-4-chloro-1-methyl-5-trifluoromethylpyrazole
CID 22912801
1-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 45602138
4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
CID 71062311
4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 83908287
4-Bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine
CID 176385023
1-Cyclopentyl-4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 60136819
4-Chloro-3-methyl-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
CID 116535095
4-chloro-1-(difluoromethyl)-5-methyl-1H-pyrazol-3-amine
CID 154881941
1-Cyclopentyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 162574044
4-Chloro-1-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine HCl
CID 170922287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine (CID 164664668) is 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine is Nc1nn(C2CCCC2)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is HNVHMGLOUDSHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c10-6-7(9(11,12)13)16(15-8(6)14)5-3-1-2-4-5/h5H,1-4H2,(H2,14,15).
What are the key properties of 4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine?
4-chloro-1-cyclopentyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 253.65 g/mol, XLogP of 3.25, 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 is sourced from PubChem (CID 164664668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).