4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol

C13H22N2O2 — CID 103008506

IUPAC4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
SMILESCn1nccc1CCC(O)CC1CCCCO1
InChIInChI=1S/C13H22N2O2/c1-15-11(7-8-14-15)5-6-12(16)10-13-4-2-3-9-17-13/h7-8,12-13,16H,2-6,9-10H2,1H3
InChIKeyVLVBLSMXMDAGNE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.67
Rot. Bonds5

About 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol

4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol (PubChem CID 103008506) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
PubChem CID103008506
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
SMILESCn1nccc1CCC(O)CC1CCCCO1
InChIInChI=1S/C13H22N2O2/c1-15-11(7-8-14-15)5-6-12(16)10-13-4-2-3-9-17-13/h7-8,12-13,16H,2-6,9-10H2,1H3
InChIKeyVLVBLSMXMDAGNE-UHFFFAOYSA-N
XLogP1.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
CID 103028043
4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
CID 103008015
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008451
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
CID 103030505
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103028081
5-methyl-1-(oxan-2-yl)hex-5-en-2-ol
CID 114474030
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol (CID 103008506) is 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol is Cn1nccc1CCC(O)CC1CCCCO1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol?
The InChIKey is VLVBLSMXMDAGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15-11(7-8-14-15)5-6-12(16)10-13-4-2-3-9-17-13/h7-8,12-13,16H,2-6,9-10H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol?
4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol is sourced from PubChem (CID 103008506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).