2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol

C14H24F3N3O — CID 64809621

IUPAC2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
SMILESCCCNC(C)(CO)CCCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C14H24F3N3O/c1-3-7-18-13(2,11-21)6-4-5-8-20-10-12(9-19-20)14(15,16)17/h9-10,18,21H,3-8,11H2,1-2H3
InChIKeyPRWCVPNULPASNK-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.82
Rot. Bonds9

About 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol

2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol (PubChem CID 64809621) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
PubChem CID64809621
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
SMILESCCCNC(C)(CO)CCCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C14H24F3N3O/c1-3-7-18-13(2,11-21)6-4-5-8-20-10-12(9-19-20)14(15,16)17/h9-10,18,21H,3-8,11H2,1-2H3
InChIKeyPRWCVPNULPASNK-UHFFFAOYSA-N
XLogP2.82
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol (CID 64809621) is 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol is CCCNC(C)(CO)CCCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
The InChIKey is PRWCVPNULPASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-3-7-18-13(2,11-21)6-4-5-8-20-10-12(9-19-20)14(15,16)17/h9-10,18,21H,3-8,11H2,1-2H3.
What are the key properties of 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol?
2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol has a molecular weight of 307.36 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol is sourced from PubChem (CID 64809621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).