N-(4-ethylcycloheptyl)-1H-indazol-4-amine

C16H23N3 — CID 65083545

IUPACN-(4-ethylcycloheptyl)-1H-indazol-4-amine
SMILESCCC1CCCC(Nc2cccc3[nH]ncc23)CC1
InChIInChI=1S/C16H23N3/c1-2-12-5-3-6-13(10-9-12)18-15-7-4-8-16-14(15)11-17-19-16/h4,7-8,11-13,18H,2-3,5-6,9-10H2,1H3,(H,17,19)
InChIKeyJOENHYZLCKSRAT-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.33
Rot. Bonds3

About N-(4-ethylcycloheptyl)-1H-indazol-4-amine

N-(4-ethylcycloheptyl)-1H-indazol-4-amine (PubChem CID 65083545) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(4-ethylcycloheptyl)-1H-indazol-4-amine.

Molecular Properties

Compound NameN-(4-ethylcycloheptyl)-1H-indazol-4-amine
PubChem CID65083545
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(4-ethylcycloheptyl)-1H-indazol-4-amine
SMILESCCC1CCCC(Nc2cccc3[nH]ncc23)CC1
InChIInChI=1S/C16H23N3/c1-2-12-5-3-6-13(10-9-12)18-15-7-4-8-16-14(15)11-17-19-16/h4,7-8,11-13,18H,2-3,5-6,9-10H2,1H3,(H,17,19)
InChIKeyJOENHYZLCKSRAT-UHFFFAOYSA-N
XLogP4.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcycloheptyl)-1H-indazol-4-amine?
The IUPAC name of N-(4-ethylcycloheptyl)-1H-indazol-4-amine (CID 65083545) is N-(4-ethylcycloheptyl)-1H-indazol-4-amine.
What is the SMILES notation for N-(4-ethylcycloheptyl)-1H-indazol-4-amine?
The canonical SMILES for N-(4-ethylcycloheptyl)-1H-indazol-4-amine is CCC1CCCC(Nc2cccc3[nH]ncc23)CC1.
What is the InChIKey of N-(4-ethylcycloheptyl)-1H-indazol-4-amine?
The InChIKey is JOENHYZLCKSRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-12-5-3-6-13(10-9-12)18-15-7-4-8-16-14(15)11-17-19-16/h4,7-8,11-13,18H,2-3,5-6,9-10H2,1H3,(H,17,19).
What are the key properties of N-(4-ethylcycloheptyl)-1H-indazol-4-amine?
N-(4-ethylcycloheptyl)-1H-indazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcycloheptyl)-1H-indazol-4-amine is sourced from PubChem (CID 65083545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).