3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole

C10H15ClN2 — CID 121214384

IUPAC3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc2c(c1CCl)CCCC2
InChIInChI=1S/C10H15ClN2/c1-2-13-10(7-11)8-5-3-4-6-9(8)12-13/h2-7H2,1H3
InChIKeyNCAPCIBZOFPEKN-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.52
Rot. Bonds2

About 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole

3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole (PubChem CID 121214384) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole
PubChem CID121214384
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc2c(c1CCl)CCCC2
InChIInChI=1S/C10H15ClN2/c1-2-13-10(7-11)8-5-3-4-6-9(8)12-13/h2-7H2,1H3
InChIKeyNCAPCIBZOFPEKN-UHFFFAOYSA-N
XLogP2.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
CID 105461216
1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 121292185
2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbohydrazide
CID 170590420
2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66021190
(2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 105439071
(2-ethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)methanol
CID 105439524
N-methyl-1-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine
CID 83862498
3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 142138599
2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66014304
2-[(5-chloro-3-ethyltriazol-4-yl)methylsulfanyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 172593206
ethane;3-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 170590416
(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol
CID 121214505

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole (CID 121214384) is 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole is CCn1nc2c(c1CCl)CCCC2.
What is the InChIKey of 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole?
The InChIKey is NCAPCIBZOFPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-13-10(7-11)8-5-3-4-6-9(8)12-13/h2-7H2,1H3.
What are the key properties of 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole?
3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole has a molecular weight of 198.70 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 121214384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).