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

C10H15F3N2O2 — CID 135352089

IUPAC(3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
SMILESCn1cc(C(O)C[C@@H](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/t8-,9?/m1/s1
InChIKeyGYTWZDPJPAHEII-VEDVMXKPSA-N
MW252.24 g/mol
LogP1.40
Rot. Bonds5

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

(3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol (PubChem CID 135352089) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol.

Molecular Properties

Compound Name(3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
PubChem CID135352089
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name(3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
SMILESCn1cc(C(O)C[C@@H](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/t8-,9?/m1/s1
InChIKeyGYTWZDPJPAHEII-VEDVMXKPSA-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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Related Compounds

4,4-Difluoro-1-[1-(methoxymethyl)-1H-pyrazol-4-yl]cyclohexanol
CID 89962338
5,5-Difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 89963305
trans-(1S,2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 89963306
(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 122657932
2,2,2-Trifluoro-1-(1-pentylpyrazol-4-yl)ethanol
CID 134509611
1-(1-Methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
CID 135352090
(3,3-Difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane
CID 163383977
(3,3-Difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol
CID 163383978
2-[1-(2,2-Difluoroethyl)pyrazol-4-yl]pentane-1,5-diol
CID 163981352
3,3,3-Trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 61088403
1-(1-Ethylpyrazol-4-yl)-3,3,3-trifluoropropan-1-ol
CID 61679967
3,3,3-Trifluoro-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 61679968

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol?
The IUPAC name of (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol (CID 135352089) is (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol.
What is the SMILES notation for (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol?
The canonical SMILES for (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol is Cn1cc(C(O)C[C@@H](CCO)C(F)(F)F)cn1.
What is the InChIKey of (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol?
The InChIKey is GYTWZDPJPAHEII-VEDVMXKPSA-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/t8-,9?/m1/s1.
What are the key properties of (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol?
(3R)-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 (3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol is sourced from PubChem (CID 135352089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).