5-cyclopropyl-3,6-dimethyl-2H-indazole

C12H14N2 — CID 177150183

IUPAC5-cyclopropyl-3,6-dimethyl-2H-indazole
SMILESCc1cc2n[nH]c(C)c2cc1C1CC1
InChIInChI=1S/C12H14N2/c1-7-5-12-11(8(2)13-14-12)6-10(7)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyPGFFHISUOOHBMH-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.06
Rot. Bonds1

About 5-cyclopropyl-3,6-dimethyl-2H-indazole

5-cyclopropyl-3,6-dimethyl-2H-indazole (PubChem CID 177150183) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-cyclopropyl-3,6-dimethyl-2H-indazole.

Molecular Properties

Compound Name5-cyclopropyl-3,6-dimethyl-2H-indazole
PubChem CID177150183
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-cyclopropyl-3,6-dimethyl-2H-indazole
SMILESCc1cc2n[nH]c(C)c2cc1C1CC1
InChIInChI=1S/C12H14N2/c1-7-5-12-11(8(2)13-14-12)6-10(7)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyPGFFHISUOOHBMH-UHFFFAOYSA-N
XLogP3.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3,6-dimethyl-2H-indazole?
The IUPAC name of 5-cyclopropyl-3,6-dimethyl-2H-indazole (CID 177150183) is 5-cyclopropyl-3,6-dimethyl-2H-indazole.
What is the SMILES notation for 5-cyclopropyl-3,6-dimethyl-2H-indazole?
The canonical SMILES for 5-cyclopropyl-3,6-dimethyl-2H-indazole is Cc1cc2n[nH]c(C)c2cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3,6-dimethyl-2H-indazole?
The InChIKey is PGFFHISUOOHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-7-5-12-11(8(2)13-14-12)6-10(7)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-cyclopropyl-3,6-dimethyl-2H-indazole?
5-cyclopropyl-3,6-dimethyl-2H-indazole has a molecular weight of 186.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3,6-dimethyl-2H-indazole is sourced from PubChem (CID 177150183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).