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

C13H22F3N3O — CID 64810455

IUPAC2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H22F3N3O/c1-10(2)18-12(3,9-20)5-4-6-19-8-11(7-17-19)13(14,15)16/h7-8,10,18,20H,4-6,9H2,1-3H3
InChIKeyYEGVBQJJNGJBNL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.43
Rot. Bonds7

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

2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 64810455) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID64810455
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H22F3N3O/c1-10(2)18-12(3,9-20)5-4-6-19-8-11(7-17-19)13(14,15)16/h7-8,10,18,20H,4-6,9H2,1-3H3
InChIKeyYEGVBQJJNGJBNL-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 64810455) is 2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CC(C)NC(C)(CO)CCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is YEGVBQJJNGJBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-10(2)18-12(3,9-20)5-4-6-19-8-11(7-17-19)13(14,15)16/h7-8,10,18,20H,4-6,9H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 293.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 64810455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).