1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol

C10H15F3N2O2 — CID 135352090

IUPAC1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
SMILESCn1cc(C(O)CC(CCO)C(F)(F)F)cn1
InChIInChI=1S/C10H15F3N2O2/c1-15-6-7(5-14-15)9(17)4-8(2-3-16)10(11,12)13/h5-6,8-9,16-17H,2-4H2,1H3
InChIKeyGYTWZDPJPAHEII-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.40
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol

1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol (PubChem CID 135352090) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
PubChem CID135352090
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
SMILESCn1cc(C(O)CC(CCO)C(F)(F)F)cn1
InChIInChI=1S/C10H15F3N2O2/c1-15-6-7(5-14-15)9(17)4-8(2-3-16)10(11,12)13/h5-6,8-9,16-17H,2-4H2,1H3
InChIKeyGYTWZDPJPAHEII-UHFFFAOYSA-N
XLogP1.40
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol (CID 135352090) is 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol is Cn1cc(C(O)CC(CCO)C(F)(F)F)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol?
The InChIKey is GYTWZDPJPAHEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-15-6-7(5-14-15)9(17)4-8(2-3-16)10(11,12)13/h5-6,8-9,16-17H,2-4H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol?
1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol has a molecular weight of 252.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol is sourced from PubChem (CID 135352090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).