N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine

C16H18F3N3 — CID 82527795

IUPACN-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine
SMILESFC(F)(F)c1c(CNC2CCCC2)cnn1-c1ccccc1
InChIInChI=1S/C16H18F3N3/c17-16(18,19)15-12(10-20-13-6-4-5-7-13)11-21-22(15)14-8-2-1-3-9-14/h1-3,8-9,11,13,20H,4-7,10H2
InChIKeyHXLIZVCTKWKZTL-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.92
Rot. Bonds4

About N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine

N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine (PubChem CID 82527795) has the molecular formula C16H18F3N3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine
PubChem CID82527795
Molecular FormulaC16H18F3N3
Molecular Weight309.33 g/mol
Exact Mass309.15
IUPAC NameN-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine
SMILESFC(F)(F)c1c(CNC2CCCC2)cnn1-c1ccccc1
InChIInChI=1S/C16H18F3N3/c17-16(18,19)15-12(10-20-13-6-4-5-7-13)11-21-22(15)14-8-2-1-3-9-14/h1-3,8-9,11,13,20H,4-7,10H2
InChIKeyHXLIZVCTKWKZTL-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 103294527
N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441946
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82528297
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
3-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-6-prop-1-en-2-yl-1,2,4,5-tetrazine
CID 165095323
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82527894
N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66442349
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
CID 66438359
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487

Frequently Asked Questions

What is the IUPAC name of N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine (CID 82527795) is N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine is FC(F)(F)c1c(CNC2CCCC2)cnn1-c1ccccc1.
What is the InChIKey of N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine?
The InChIKey is HXLIZVCTKWKZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c17-16(18,19)15-12(10-20-13-6-4-5-7-13)11-21-22(15)14-8-2-1-3-9-14/h1-3,8-9,11,13,20H,4-7,10H2.
What are the key properties of N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine?
N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine has a molecular weight of 309.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82527795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).