N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine

C14H24F3N3 — CID 70435081

IUPACN-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine
SMILESCCCCCNCC(CCCn1cccn1)C(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-2-3-4-8-18-12-13(14(15,16)17)7-5-10-20-11-6-9-19-20/h6,9,11,13,18H,2-5,7-8,10,12H2,1H3
InChIKeyCWXHNVSOVYYBCE-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.62
Rot. Bonds10

About N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine

N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine (PubChem CID 70435081) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine.

Molecular Properties

Compound NameN-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine
PubChem CID70435081
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC NameN-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine
SMILESCCCCCNCC(CCCn1cccn1)C(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-2-3-4-8-18-12-13(14(15,16)17)7-5-10-20-11-6-9-19-20/h6,9,11,13,18H,2-5,7-8,10,12H2,1H3
InChIKeyCWXHNVSOVYYBCE-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine?
The IUPAC name of N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine (CID 70435081) is N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine.
What is the SMILES notation for N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine?
The canonical SMILES for N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine is CCCCCNCC(CCCn1cccn1)C(F)(F)F.
What is the InChIKey of N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine?
The InChIKey is CWXHNVSOVYYBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-2-3-4-8-18-12-13(14(15,16)17)7-5-10-20-11-6-9-19-20/h6,9,11,13,18H,2-5,7-8,10,12H2,1H3.
What are the key properties of N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine?
N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine has a molecular weight of 291.36 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine is sourced from PubChem (CID 70435081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).