1-(cyclopropylmethyl)-3,6-dimethylindazole

C13H16N2 — CID 129023140

IUPAC1-(cyclopropylmethyl)-3,6-dimethylindazole
SMILESCc1ccc2c(C)nn(CC3CC3)c2c1
InChIInChI=1S/C13H16N2/c1-9-3-6-12-10(2)14-15(13(12)7-9)8-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3
InChIKeyGLUSBCJAVIRNQP-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.06
Rot. Bonds2

About 1-(cyclopropylmethyl)-3,6-dimethylindazole

1-(cyclopropylmethyl)-3,6-dimethylindazole (PubChem CID 129023140) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3,6-dimethylindazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3,6-dimethylindazole
PubChem CID129023140
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(cyclopropylmethyl)-3,6-dimethylindazole
SMILESCc1ccc2c(C)nn(CC3CC3)c2c1
InChIInChI=1S/C13H16N2/c1-9-3-6-12-10(2)14-15(13(12)7-9)8-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3
InChIKeyGLUSBCJAVIRNQP-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3,6-dimethylindazole?
The IUPAC name of 1-(cyclopropylmethyl)-3,6-dimethylindazole (CID 129023140) is 1-(cyclopropylmethyl)-3,6-dimethylindazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-3,6-dimethylindazole?
The canonical SMILES for 1-(cyclopropylmethyl)-3,6-dimethylindazole is Cc1ccc2c(C)nn(CC3CC3)c2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3,6-dimethylindazole?
The InChIKey is GLUSBCJAVIRNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-3-6-12-10(2)14-15(13(12)7-9)8-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-3,6-dimethylindazole?
1-(cyclopropylmethyl)-3,6-dimethylindazole has a molecular weight of 200.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3,6-dimethylindazole is sourced from PubChem (CID 129023140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).