(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol

C9H14N2O2 — CID 61279320

IUPAC(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
SMILESCn1cc(C(O)C2CCOC2)cn1
InChIInChI=1S/C9H14N2O2/c1-11-5-8(4-10-11)9(12)7-2-3-13-6-7/h4-5,7,9,12H,2-3,6H2,1H3
InChIKeyKPSNZMJEEHHHJU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.49
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol

(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol (PubChem CID 61279320) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
PubChem CID61279320
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
SMILESCn1cc(C(O)C2CCOC2)cn1
InChIInChI=1S/C9H14N2O2/c1-11-5-8(4-10-11)9(12)7-2-3-13-6-7/h4-5,7,9,12H,2-3,6H2,1H3
InChIKeyKPSNZMJEEHHHJU-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115723445
azetidin-3-yl-(1-methylpyrazol-4-yl)methanol
CID 130510223
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103786000
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
furan-3-yl(oxolan-3-yl)methanol
CID 63894971
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921
ethyl (3S)-3-(1-methylpyrazol-4-yl)-3-(oxan-4-yl)propanoate
CID 129409435
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
CID 107135628
(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol
CID 66132890

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol (CID 61279320) is (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol is Cn1cc(C(O)C2CCOC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol?
The InChIKey is KPSNZMJEEHHHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-5-8(4-10-11)9(12)7-2-3-13-6-7/h4-5,7,9,12H,2-3,6H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol?
(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 61279320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).