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

C11H18F3N3O — CID 64808780

IUPAC2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCNC(C)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3O/c1-10(8-18,15-2)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7,15,18H,3-5,8H2,1-2H3
InChIKeyYMUSKQKAUWQVLY-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.65
Rot. Bonds6

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

2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 64808780) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID64808780
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCNC(C)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3O/c1-10(8-18,15-2)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7,15,18H,3-5,8H2,1-2H3
InChIKeyYMUSKQKAUWQVLY-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046760
1,1,1-Trifluoro-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 62404066
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62731764
1-[4-(Trifluoromethyl)pyrazol-1-yl]pentan-2-ol
CID 64176938
2-Methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64176950
2-methyl-N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 64177307
2-[4-(Trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 64177621
2-(Ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64177639
2-methyl-N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 64177649
2-Methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64177792
2-Methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64177959
5-[4-(Trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64178288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 64808780) is 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CNC(C)(CO)CCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is YMUSKQKAUWQVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-10(8-18,15-2)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7,15,18H,3-5,8H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 265.28 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 64808780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).