N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide

C16H21N3O — CID 64982870

IUPACN-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
SMILESCCC1CCCC(NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H21N3O/c1-2-11-6-5-7-12(10-11)17-16(20)15-13-8-3-4-9-14(13)18-19-15/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyOFNNSGLOWSPODA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.26
Rot. Bonds3

About N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide

N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide (PubChem CID 64982870) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
PubChem CID64982870
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
SMILESCCC1CCCC(NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H21N3O/c1-2-11-6-5-7-12(10-11)17-16(20)15-13-8-3-4-9-14(13)18-19-15/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyOFNNSGLOWSPODA-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide (CID 64982870) is N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide is CCC1CCCC(NC(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide?
The InChIKey is OFNNSGLOWSPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-11-6-5-7-12(10-11)17-16(20)15-13-8-3-4-9-14(13)18-19-15/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide?
N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 64982870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).