4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol

C12H20N2O2 — CID 103008015

IUPAC4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
SMILESCn1cc(CCC(O)CC2CCCO2)cn1
InChIInChI=1S/C12H20N2O2/c1-14-9-10(8-13-14)4-5-11(15)7-12-3-2-6-16-12/h8-9,11-12,15H,2-7H2,1H3
InChIKeyQHMRMVJEGTYUCJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.28
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol

4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol (PubChem CID 103008015) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
PubChem CID103008015
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
SMILESCn1cc(CCC(O)CC2CCCO2)cn1
InChIInChI=1S/C12H20N2O2/c1-14-9-10(8-13-14)4-5-11(15)7-12-3-2-6-16-12/h8-9,11-12,15H,2-7H2,1H3
InChIKeyQHMRMVJEGTYUCJ-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
CID 103009231
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
CID 103008506
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
CID 113391342
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol (CID 103008015) is 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol is Cn1cc(CCC(O)CC2CCCO2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol?
The InChIKey is QHMRMVJEGTYUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14-9-10(8-13-14)4-5-11(15)7-12-3-2-6-16-12/h8-9,11-12,15H,2-7H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol?
4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol is sourced from PubChem (CID 103008015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).