2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile

C11H15N3 — CID 84719337

IUPAC2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile
SMILESCC(C)n1cc2c(n1)CC(C#N)CC2
InChIInChI=1S/C11H15N3/c1-8(2)14-7-10-4-3-9(6-12)5-11(10)13-14/h7-9H,3-5H2,1-2H3
InChIKeyCPFCIPFCKDGXKY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.09
Rot. Bonds1

About 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile

2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile (PubChem CID 84719337) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile
PubChem CID84719337
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile
SMILESCC(C)n1cc2c(n1)CC(C#N)CC2
InChIInChI=1S/C11H15N3/c1-8(2)14-7-10-4-3-9(6-12)5-11(10)13-14/h7-9H,3-5H2,1-2H3
InChIKeyCPFCIPFCKDGXKY-UHFFFAOYSA-N
XLogP2.09
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 45121281
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile
CID 82651107
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 84717099
1-(Trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 91573377
2-Methyl-4,5,6,7-tetrahydro-2H-indazole
CID 21724025
1-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 45791492
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine dihydrochloride
CID 54594814

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile (CID 84719337) is 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile is CC(C)n1cc2c(n1)CC(C#N)CC2.
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile?
The InChIKey is CPFCIPFCKDGXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)14-7-10-4-3-9(6-12)5-11(10)13-14/h7-9H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile?
2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile is sourced from PubChem (CID 84719337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).