5-cyclopropyl-1,4-dimethylpyrazole

C8H12N2 — CID 88991708

IUPAC5-cyclopropyl-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1C1CC1
InChIInChI=1S/C8H12N2/c1-6-5-9-10(2)8(6)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyHVTAYPKXSYSZQY-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.61
Rot. Bonds1

About 5-cyclopropyl-1,4-dimethylpyrazole

5-cyclopropyl-1,4-dimethylpyrazole (PubChem CID 88991708) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-cyclopropyl-1,4-dimethylpyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1,4-dimethylpyrazole
PubChem CID88991708
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-cyclopropyl-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1C1CC1
InChIInChI=1S/C8H12N2/c1-6-5-9-10(2)8(6)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyHVTAYPKXSYSZQY-UHFFFAOYSA-N
XLogP1.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,4-dimethylpyrazole?
The IUPAC name of 5-cyclopropyl-1,4-dimethylpyrazole (CID 88991708) is 5-cyclopropyl-1,4-dimethylpyrazole.
What is the SMILES notation for 5-cyclopropyl-1,4-dimethylpyrazole?
The canonical SMILES for 5-cyclopropyl-1,4-dimethylpyrazole is Cc1cnn(C)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,4-dimethylpyrazole?
The InChIKey is HVTAYPKXSYSZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-5-9-10(2)8(6)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-1,4-dimethylpyrazole?
5-cyclopropyl-1,4-dimethylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,4-dimethylpyrazole is sourced from PubChem (CID 88991708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).