3-methyl-3-propylpyrazole

C7H12N2 — CID 173140451

IUPAC3-methyl-3-propylpyrazole
SMILESCCCC1(C)C=CN=N1
InChIInChI=1S/C7H12N2/c1-3-4-7(2)5-6-8-9-7/h5-6H,3-4H2,1-2H3
InChIKeyMONFCRQOULSKSA-UHFFFAOYSA-N
MW124.19 g/mol
LogP2.52
Rot. Bonds2

About 3-methyl-3-propylpyrazole

3-methyl-3-propylpyrazole (PubChem CID 173140451) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-methyl-3-propylpyrazole.

Molecular Properties

Compound Name3-methyl-3-propylpyrazole
PubChem CID173140451
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-methyl-3-propylpyrazole
SMILESCCCC1(C)C=CN=N1
InChIInChI=1S/C7H12N2/c1-3-4-7(2)5-6-8-9-7/h5-6H,3-4H2,1-2H3
InChIKeyMONFCRQOULSKSA-UHFFFAOYSA-N
XLogP2.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propylpyrazole?
The IUPAC name of 3-methyl-3-propylpyrazole (CID 173140451) is 3-methyl-3-propylpyrazole.
What is the SMILES notation for 3-methyl-3-propylpyrazole?
The canonical SMILES for 3-methyl-3-propylpyrazole is CCCC1(C)C=CN=N1.
What is the InChIKey of 3-methyl-3-propylpyrazole?
The InChIKey is MONFCRQOULSKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-7(2)5-6-8-9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-3-propylpyrazole?
3-methyl-3-propylpyrazole has a molecular weight of 124.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propylpyrazole is sourced from PubChem (CID 173140451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).