1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile

C12H17N3 — CID 58559361

IUPAC1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile
SMILESCCn1nc(C#N)c2c1CC(C)(C)CC2
InChIInChI=1S/C12H17N3/c1-4-15-11-7-12(2,3)6-5-9(11)10(8-13)14-15/h4-7H2,1-3H3
InChIKeyXKVLZVFGOIJHIE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.29
Rot. Bonds1

About 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile

1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile (PubChem CID 58559361) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile
PubChem CID58559361
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile
SMILESCCn1nc(C#N)c2c1CC(C)(C)CC2
InChIInChI=1S/C12H17N3/c1-4-15-11-7-12(2,3)6-5-9(11)10(8-13)14-15/h4-7H2,1-3H3
InChIKeyXKVLZVFGOIJHIE-UHFFFAOYSA-N
XLogP2.29
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165946402
1-(1,5,5-trimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165949805
3-Tert-butyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 58720021
1-isopropyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 58977163
3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole
CID 71204297
1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71204306
7-Methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 71204316
3-(Difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole
CID 89370018
3-(1,1-Difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 90162023
3-(1,1-Difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 90162026
4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole
CID 90162048

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile?
The IUPAC name of 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile (CID 58559361) is 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile?
The canonical SMILES for 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile is CCn1nc(C#N)c2c1CC(C)(C)CC2.
What is the InChIKey of 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile?
The InChIKey is XKVLZVFGOIJHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-15-11-7-12(2,3)6-5-9(11)10(8-13)14-15/h4-7H2,1-3H3.
What are the key properties of 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile?
1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carbonitrile is sourced from PubChem (CID 58559361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).