5-propan-2-yloxy-1H-pyrazole

C6H10N2O — CID 68602893

IUPAC5-propan-2-yloxy-1H-pyrazole
SMILESCC(C)Oc1ccn[nH]1
InChIInChI=1S/C6H10N2O/c1-5(2)9-6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyMVHJDJIICMGNQT-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.20
Rot. Bonds2

About 5-propan-2-yloxy-1H-pyrazole

5-propan-2-yloxy-1H-pyrazole (PubChem CID 68602893) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-propan-2-yloxy-1H-pyrazole.

Molecular Properties

Compound Name5-propan-2-yloxy-1H-pyrazole
PubChem CID68602893
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-propan-2-yloxy-1H-pyrazole
SMILESCC(C)Oc1ccn[nH]1
InChIInChI=1S/C6H10N2O/c1-5(2)9-6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyMVHJDJIICMGNQT-UHFFFAOYSA-N
XLogP1.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yloxy-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-1H-pyrazole
CID 20251205
5-methoxy-1H-pyrazole
CID 17852300
3-(3,3,3-Trifluoro-2,2-dimethylpropoxy)-1H-pyrazole
CID 134587385
5-Methoxy-1H-pyrazol-1-amine
CID 20276052
5-Acetoxypyrazole
CID 21475685
Pyrazolyl carbamate
CID 22759494
3-Ethoxy-4-iodo-1h-pyrazole
CID 44629030
3-Methoxypyrazol-1-amine
CID 86205723
Morpholinoethoxypyrazole
CID 89414947
Cyanatopyrazole
CID 124152595
3-(Cyclopentylmethoxy)-1H-pyrazole
CID 134399319
3-(Difluoromethoxy)-1H-pyrazole
CID 53694029

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-1H-pyrazole?
The IUPAC name of 5-propan-2-yloxy-1H-pyrazole (CID 68602893) is 5-propan-2-yloxy-1H-pyrazole.
What is the SMILES notation for 5-propan-2-yloxy-1H-pyrazole?
The canonical SMILES for 5-propan-2-yloxy-1H-pyrazole is CC(C)Oc1ccn[nH]1.
What is the InChIKey of 5-propan-2-yloxy-1H-pyrazole?
The InChIKey is MVHJDJIICMGNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)9-6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8).
What are the key properties of 5-propan-2-yloxy-1H-pyrazole?
5-propan-2-yloxy-1H-pyrazole has a molecular weight of 126.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1H-pyrazole is sourced from PubChem (CID 68602893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).