3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C9H14F3N3O — CID 115882734

IUPAC3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1ccn[nH]1)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c10-9(11,12)7-15(4-1-5-16)6-8-2-3-13-14-8/h2-3,16H,1,4-7H2,(H,13,14)
InChIKeyYOBTYINFYJPGMH-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.16
Rot. Bonds6

About 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 115882734) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID115882734
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1ccn[nH]1)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c10-9(11,12)7-15(4-1-5-16)6-8-2-3-13-14-8/h2-3,16H,1,4-7H2,(H,13,14)
InChIKeyYOBTYINFYJPGMH-UHFFFAOYSA-N
XLogP1.16
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 115882734) is 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is OCCCN(Cc1ccn[nH]1)CC(F)(F)F.
What is the InChIKey of 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is YOBTYINFYJPGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c10-9(11,12)7-15(4-1-5-16)6-8-2-3-13-14-8/h2-3,16H,1,4-7H2,(H,13,14).
What are the key properties of 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 237.22 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 115882734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).