2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

C13H22F3N3O — CID 64808781

IUPAC2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCCNC(C)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H22F3N3O/c1-3-6-17-12(2,10-20)5-4-7-19-9-11(8-18-19)13(14,15)16/h8-9,17,20H,3-7,10H2,1-2H3
InChIKeyAUUCMBHWONNCTG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.43
Rot. Bonds8

About 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 64808781) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID64808781
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCCCNC(C)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H22F3N3O/c1-3-6-17-12(2,10-20)5-4-7-19-9-11(8-18-19)13(14,15)16/h8-9,17,20H,3-7,10H2,1-2H3
InChIKeyAUUCMBHWONNCTG-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 64808781) is 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CCCNC(C)(CO)CCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is AUUCMBHWONNCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-3-6-17-12(2,10-20)5-4-7-19-9-11(8-18-19)13(14,15)16/h8-9,17,20H,3-7,10H2,1-2H3.
What are the key properties of 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 293.33 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 64808781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).