3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol

C14H24N2O2 — CID 114981610

IUPAC3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)CCC2CCCCO2)cn1
InChIInChI=1S/C14H24N2O2/c1-2-8-16-11-12(10-15-16)14(17)7-6-13-5-3-4-9-18-13/h10-11,13-14,17H,2-9H2,1H3
InChIKeyUVABYVFEVRSZOW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.68
Rot. Bonds6

About 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol

3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol (PubChem CID 114981610) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
PubChem CID114981610
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)CCC2CCCCO2)cn1
InChIInChI=1S/C14H24N2O2/c1-2-8-16-11-12(10-15-16)14(17)7-6-13-5-3-4-9-18-13/h10-11,13-14,17H,2-9H2,1H3
InChIKeyUVABYVFEVRSZOW-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
CID 62730194
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 131933777
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
oxolan-2-yl-(1-propylpyrazol-4-yl)methanamine
CID 65331147
1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836748
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
CID 113391342
1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
CID 103572625
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 115837343

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol (CID 114981610) is 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol is CCCn1cc(C(O)CCC2CCCCO2)cn1.
What is the InChIKey of 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol?
The InChIKey is UVABYVFEVRSZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-8-16-11-12(10-15-16)14(17)7-6-13-5-3-4-9-18-13/h10-11,13-14,17H,2-9H2,1H3.
What are the key properties of 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol?
3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 114981610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).