1-cyclopropyl-4-methylpyrazole

C7H10N2 — CID 66634668

IUPAC1-cyclopropyl-4-methylpyrazole
SMILESCc1cnn(C2CC2)c1
InChIInChI=1S/C7H10N2/c1-6-4-8-9(5-6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyJHVXREYOJIKQMO-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.53
Rot. Bonds1

About 1-cyclopropyl-4-methylpyrazole

1-cyclopropyl-4-methylpyrazole (PubChem CID 66634668) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-cyclopropyl-4-methylpyrazole.

Molecular Properties

Compound Name1-cyclopropyl-4-methylpyrazole
PubChem CID66634668
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-cyclopropyl-4-methylpyrazole
SMILESCc1cnn(C2CC2)c1
InChIInChI=1S/C7H10N2/c1-6-4-8-9(5-6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyJHVXREYOJIKQMO-UHFFFAOYSA-N
XLogP1.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methylpyrazole?
The IUPAC name of 1-cyclopropyl-4-methylpyrazole (CID 66634668) is 1-cyclopropyl-4-methylpyrazole.
What is the SMILES notation for 1-cyclopropyl-4-methylpyrazole?
The canonical SMILES for 1-cyclopropyl-4-methylpyrazole is Cc1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-4-methylpyrazole?
The InChIKey is JHVXREYOJIKQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-4-8-9(5-6)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-4-methylpyrazole?
1-cyclopropyl-4-methylpyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methylpyrazole is sourced from PubChem (CID 66634668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).