1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole

C11H16N2 — CID 137437585

IUPAC1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
SMILESCc1nn(C2CC2)c2c1CCCC2
InChIInChI=1S/C11H16N2/c1-8-10-4-2-3-5-11(10)13(12-8)9-6-7-9/h9H,2-7H2,1H3
InChIKeyYHOKBEIRCQJSPI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.41
Rot. Bonds1

About 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole

1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 137437585) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
PubChem CID137437585
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
SMILESCc1nn(C2CC2)c2c1CCCC2
InChIInChI=1S/C11H16N2/c1-8-10-4-2-3-5-11(10)13(12-8)9-6-7-9/h9H,2-7H2,1H3
InChIKeyYHOKBEIRCQJSPI-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole (CID 137437585) is 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole is Cc1nn(C2CC2)c2c1CCCC2.
What is the InChIKey of 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is YHOKBEIRCQJSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-10-4-2-3-5-11(10)13(12-8)9-6-7-9/h9H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole?
1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 176.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 137437585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).