N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine

C14H24F3N3 — CID 70435083

IUPACN,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCCCCNc1n[nH]c(CCCCC)c1C(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-3-5-7-9-11-12(14(15,16)17)13(20-19-11)18-10-8-6-4-2/h3-10H2,1-2H3,(H2,18,19,20)
InChIKeyRJCLTEPYCZGBNX-UHFFFAOYSA-N
MW291.36 g/mol
LogP4.76
Rot. Bonds9

About N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine

N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 70435083) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID70435083
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC NameN,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCCCCNc1n[nH]c(CCCCC)c1C(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-3-5-7-9-11-12(14(15,16)17)13(20-19-11)18-10-8-6-4-2/h3-10H2,1-2H3,(H2,18,19,20)
InChIKeyRJCLTEPYCZGBNX-UHFFFAOYSA-N
XLogP4.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine (CID 70435083) is N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine is CCCCCNc1n[nH]c(CCCCC)c1C(F)(F)F.
What is the InChIKey of N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is RJCLTEPYCZGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-3-5-7-9-11-12(14(15,16)17)13(20-19-11)18-10-8-6-4-2/h3-10H2,1-2H3,(H2,18,19,20).
What are the key properties of N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine?
N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 291.36 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 70435083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).