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

C10H16F3N3O — CID 165479972

IUPAC1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1c(C(F)(F)F)cnn1C
InChIInChI=1S/C10H16F3N3O/c1-6(2)14-5-8(17)9-7(10(11,12)13)4-15-16(9)3/h4,6,8,14,17H,5H2,1-3H3
InChIKeyHNWAYVOHGHEKFB-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.47
Rot. Bonds4

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

1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol (PubChem CID 165479972) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol
PubChem CID165479972
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1c(C(F)(F)F)cnn1C
InChIInChI=1S/C10H16F3N3O/c1-6(2)14-5-8(17)9-7(10(11,12)13)4-15-16(9)3/h4,6,8,14,17H,5H2,1-3H3
InChIKeyHNWAYVOHGHEKFB-UHFFFAOYSA-N
XLogP1.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol (CID 165479972) is 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1c(C(F)(F)F)cnn1C.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol?
The InChIKey is HNWAYVOHGHEKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-6(2)14-5-8(17)9-7(10(11,12)13)4-15-16(9)3/h4,6,8,14,17H,5H2,1-3H3.
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol?
1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol has a molecular weight of 251.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 165479972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).