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

C14H24F3N3 — CID 70408080

IUPACN,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine
SMILESCCCCCNc1c(C(F)(F)F)cnn1CCCCC
InChIInChI=1S/C14H24F3N3/c1-3-5-7-9-18-13-12(14(15,16)17)11-19-20(13)10-8-6-4-2/h11,18H,3-10H2,1-2H3
InChIKeyAHJUVUFJCKVHEK-UHFFFAOYSA-N
MW291.36 g/mol
LogP4.69
Rot. Bonds9

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

N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine (PubChem CID 70408080) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine
PubChem CID70408080
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC NameN,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine
SMILESCCCCCNc1c(C(F)(F)F)cnn1CCCCC
InChIInChI=1S/C14H24F3N3/c1-3-5-7-9-18-13-12(14(15,16)17)11-19-20(13)10-8-6-4-2/h11,18H,3-10H2,1-2H3
InChIKeyAHJUVUFJCKVHEK-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.69
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,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine (CID 70408080) is N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine is CCCCCNc1c(C(F)(F)F)cnn1CCCCC.
What is the InChIKey of N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is AHJUVUFJCKVHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-3-5-7-9-18-13-12(14(15,16)17)11-19-20(13)10-8-6-4-2/h11,18H,3-10H2,1-2H3.
What are the key properties of N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine?
N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 291.36 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 70408080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).