1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol

C11H18N2O2 — CID 62730194

IUPAC1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CC2CCCO2)c1
InChIInChI=1S/C11H18N2O2/c1-2-11(14)9-6-12-13(7-9)8-10-4-3-5-15-10/h6-7,10-11,14H,2-5,8H2,1H3
InChIKeyHSQREUIDAFCURO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.51
Rot. Bonds4

About 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol

1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 62730194) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
PubChem CID62730194
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CC2CCCO2)c1
InChIInChI=1S/C11H18N2O2/c1-2-11(14)9-6-12-13(7-9)8-10-4-3-5-15-10/h6-7,10-11,14H,2-5,8H2,1H3
InChIKeyHSQREUIDAFCURO-UHFFFAOYSA-N
XLogP1.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62730979
N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 63946105
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol
CID 43745581
2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone
CID 129379137
1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol
CID 114225169
N-butan-2-yl-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamoylamino]propanamide
CID 86863097
(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide
CID 129354476

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol (CID 62730194) is 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CC2CCCO2)c1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is HSQREUIDAFCURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-11(14)9-6-12-13(7-9)8-10-4-3-5-15-10/h6-7,10-11,14H,2-5,8H2,1H3.
What are the key properties of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol?
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 62730194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).