1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol

C7H12N2O2 — CID 67674860

IUPAC1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol
SMILESCOC(c1ccn[nH]1)C(C)O
InChIInChI=1S/C7H12N2O2/c1-5(10)7(11-2)6-3-4-8-9-6/h3-5,7,10H,1-2H3,(H,8,9)
InChIKeyFLNJDONXBKSYPZ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.48
Rot. Bonds3

About 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol

1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol (PubChem CID 67674860) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol
PubChem CID67674860
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol
SMILESCOC(c1ccn[nH]1)C(C)O
InChIInChI=1S/C7H12N2O2/c1-5(10)7(11-2)6-3-4-8-9-6/h3-5,7,10H,1-2H3,(H,8,9)
InChIKeyFLNJDONXBKSYPZ-UHFFFAOYSA-N
XLogP0.48
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol?
The IUPAC name of 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol (CID 67674860) is 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol is COC(c1ccn[nH]1)C(C)O.
What is the InChIKey of 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol?
The InChIKey is FLNJDONXBKSYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(10)7(11-2)6-3-4-8-9-6/h3-5,7,10H,1-2H3,(H,8,9).
What are the key properties of 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol?
1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol has a molecular weight of 156.18 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 67674860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).