2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole

C12H20N2 — CID 18686295

IUPAC2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc2c(c1C(C)C)CCCC2
InChIInChI=1S/C12H20N2/c1-4-14-12(9(2)3)10-7-5-6-8-11(10)13-14/h9H,4-8H2,1-3H3
InChIKeyLWXIYNKOFQKRCX-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.91
Rot. Bonds2

About 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole

2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole (PubChem CID 18686295) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole
PubChem CID18686295
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc2c(c1C(C)C)CCCC2
InChIInChI=1S/C12H20N2/c1-4-14-12(9(2)3)10-7-5-6-8-11(10)13-14/h9H,4-8H2,1-3H3
InChIKeyLWXIYNKOFQKRCX-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

US11028083, Example 21
CID 139456561
3-bromo-2-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 57425037
3-bromo-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 84680769
3-ethynyl-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 145769935
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1,4-Dimethyl-3,5-di-t-butylpyrazole
CID 145636
Cambridge id 6066293
CID 5347470
2-Methyl-4,5,6,7-tetrahydro-2H-indazole
CID 21724025
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
3-ethynyl-2-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 126838928

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole (CID 18686295) is 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole is CCn1nc2c(c1C(C)C)CCCC2.
What is the InChIKey of 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole?
The InChIKey is LWXIYNKOFQKRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-14-12(9(2)3)10-7-5-6-8-11(10)13-14/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole?
2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole has a molecular weight of 192.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 18686295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).