7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole

C14H20N2 — CID 142106161

IUPAC7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole
SMILESC=C1c2cccc(C)c2NN1C(C)CCC
InChIInChI=1S/C14H20N2/c1-5-7-11(3)16-12(4)13-9-6-8-10(2)14(13)15-16/h6,8-9,11,15H,4-5,7H2,1-3H3
InChIKeyRJZOTPRXAHVPNK-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.80
Rot. Bonds3

About 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole

7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole (PubChem CID 142106161) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole.

Molecular Properties

Compound Name7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole
PubChem CID142106161
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole
SMILESC=C1c2cccc(C)c2NN1C(C)CCC
InChIInChI=1S/C14H20N2/c1-5-7-11(3)16-12(4)13-9-6-8-10(2)14(13)15-16/h6,8-9,11,15H,4-5,7H2,1-3H3
InChIKeyRJZOTPRXAHVPNK-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole?
The IUPAC name of 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole (CID 142106161) is 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole.
What is the SMILES notation for 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole?
The canonical SMILES for 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole is C=C1c2cccc(C)c2NN1C(C)CCC.
What is the InChIKey of 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole?
The InChIKey is RJZOTPRXAHVPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-7-11(3)16-12(4)13-9-6-8-10(2)14(13)15-16/h6,8-9,11,15H,4-5,7H2,1-3H3.
What are the key properties of 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole?
7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole has a molecular weight of 216.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole is sourced from PubChem (CID 142106161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).