4-(2-methylpropoxy)-1H-pyrazole

C7H12N2O — CID 97179611

IUPAC4-(2-methylpropoxy)-1H-pyrazole
SMILESCC(C)COc1cn[nH]c1
InChIInChI=1S/C7H12N2O/c1-6(2)5-10-7-3-8-9-4-7/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyDSEMYQRPCXZZRE-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.44
Rot. Bonds3

About 4-(2-methylpropoxy)-1H-pyrazole

4-(2-methylpropoxy)-1H-pyrazole (PubChem CID 97179611) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1H-pyrazole
PubChem CID97179611
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-(2-methylpropoxy)-1H-pyrazole
SMILESCC(C)COc1cn[nH]c1
InChIInChI=1S/C7H12N2O/c1-6(2)5-10-7-3-8-9-4-7/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyDSEMYQRPCXZZRE-UHFFFAOYSA-N
XLogP1.44
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1H-pyrazole?
The IUPAC name of 4-(2-methylpropoxy)-1H-pyrazole (CID 97179611) is 4-(2-methylpropoxy)-1H-pyrazole.
What is the SMILES notation for 4-(2-methylpropoxy)-1H-pyrazole?
The canonical SMILES for 4-(2-methylpropoxy)-1H-pyrazole is CC(C)COc1cn[nH]c1.
What is the InChIKey of 4-(2-methylpropoxy)-1H-pyrazole?
The InChIKey is DSEMYQRPCXZZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)5-10-7-3-8-9-4-7/h3-4,6H,5H2,1-2H3,(H,8,9).
What are the key properties of 4-(2-methylpropoxy)-1H-pyrazole?
4-(2-methylpropoxy)-1H-pyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1H-pyrazole is sourced from PubChem (CID 97179611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).