4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine

C9H14F3N3 — CID 70630474

IUPAC4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCCCCc1c(N)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-3-4-5-6-7(9(10,11)12)14-15-8(6)13/h2-5H2,1H3,(H3,13,14,15)
InChIKeyZKXQIOYFGDTVPM-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.74
Rot. Bonds4

About 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine

4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 70630474) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID70630474
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCCCCc1c(N)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-3-4-5-6-7(9(10,11)12)14-15-8(6)13/h2-5H2,1H3,(H3,13,14,15)
InChIKeyZKXQIOYFGDTVPM-UHFFFAOYSA-N
XLogP2.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 70630474) is 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is CCCCCc1c(N)n[nH]c1C(F)(F)F.
What is the InChIKey of 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is ZKXQIOYFGDTVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-3-4-5-6-7(9(10,11)12)14-15-8(6)13/h2-5H2,1H3,(H3,13,14,15).
What are the key properties of 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 221.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 70630474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).