1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide

C16H21N3O2 — CID 68710206

IUPAC1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide
SMILESCCc1nn(CC2CC2)c2cc(C(=O)NCOC)ccc12
InChIInChI=1S/C16H21N3O2/c1-3-14-13-7-6-12(16(20)17-10-21-2)8-15(13)19(18-14)9-11-4-5-11/h6-8,11H,3-5,9-10H2,1-2H3,(H,17,20)
InChIKeyTUNDOXZWEIUIES-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.34
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide

1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide (PubChem CID 68710206) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide
PubChem CID68710206
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide
SMILESCCc1nn(CC2CC2)c2cc(C(=O)NCOC)ccc12
InChIInChI=1S/C16H21N3O2/c1-3-14-13-7-6-12(16(20)17-10-21-2)8-15(13)19(18-14)9-11-4-5-11/h6-8,11H,3-5,9-10H2,1-2H3,(H,17,20)
InChIKeyTUNDOXZWEIUIES-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide (CID 68710206) is 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide is CCc1nn(CC2CC2)c2cc(C(=O)NCOC)ccc12.
What is the InChIKey of 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide?
The InChIKey is TUNDOXZWEIUIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-14-13-7-6-12(16(20)17-10-21-2)8-15(13)19(18-14)9-11-4-5-11/h6-8,11H,3-5,9-10H2,1-2H3,(H,17,20).
What are the key properties of 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide?
1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide is sourced from PubChem (CID 68710206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).