1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine

C15H18ClN3 — CID 82592556

IUPAC1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCc1nn(-c2cccc(Cl)c2)c2c1C(N)CCC2
InChIInChI=1S/C15H18ClN3/c1-2-13-15-12(17)7-4-8-14(15)19(18-13)11-6-3-5-10(16)9-11/h3,5-6,9,12H,2,4,7-8,17H2,1H3
InChIKeyDTLLYMVIDUXIST-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.42
Rot. Bonds2

About 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine

1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592556) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592556
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCc1nn(-c2cccc(Cl)c2)c2c1C(N)CCC2
InChIInChI=1S/C15H18ClN3/c1-2-13-15-12(17)7-4-8-14(15)19(18-13)11-6-3-5-10(16)9-11/h3,5-6,9,12H,2,4,7-8,17H2,1H3
InChIKeyDTLLYMVIDUXIST-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591582
1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592584
2-[1-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591864
1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592656
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586595
3-methyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592611
(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125481313
3-cyclopropyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592613
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592484
1-(2,3-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592658

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine (CID 82592556) is 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine is CCc1nn(-c2cccc(Cl)c2)c2c1C(N)CCC2.
What is the InChIKey of 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is DTLLYMVIDUXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-13-15-12(17)7-4-8-14(15)19(18-13)11-6-3-5-10(16)9-11/h3,5-6,9,12H,2,4,7-8,17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).