[1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol

C11H18F3N3O — CID 55010682

IUPAC[1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
SMILESCCCN(CC(F)(F)F)c1c(CO)c(C)nn1C
InChIInChI=1S/C11H18F3N3O/c1-4-5-17(7-11(12,13)14)10-9(6-18)8(2)15-16(10)3/h18H,4-7H2,1-3H3
InChIKeyIBLMRVCMQOBHML-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.00
Rot. Bonds5

About [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol

[1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol (PubChem CID 55010682) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
PubChem CID55010682
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name[1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
SMILESCCCN(CC(F)(F)F)c1c(CO)c(C)nn1C
InChIInChI=1S/C11H18F3N3O/c1-4-5-17(7-11(12,13)14)10-9(6-18)8(2)15-16(10)3/h18H,4-7H2,1-3H3
InChIKeyIBLMRVCMQOBHML-UHFFFAOYSA-N
XLogP2.00
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol (CID 55010682) is [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol is CCCN(CC(F)(F)F)c1c(CO)c(C)nn1C.
What is the InChIKey of [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The InChIKey is IBLMRVCMQOBHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-4-5-17(7-11(12,13)14)10-9(6-18)8(2)15-16(10)3/h18H,4-7H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol has a molecular weight of 265.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol is sourced from PubChem (CID 55010682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).