5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide

C15H20N4O2 — CID 61116521

IUPAC5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O2/c1-2-19(8-10-5-6-21-9-10)15(20)14-12-7-11(16)3-4-13(12)17-18-14/h3-4,7,10H,2,5-6,8-9,16H2,1H3,(H,17,18)
InChIKeyPFHVDQNQXMLZLS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.64
Rot. Bonds4

About 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide

5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 61116521) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID61116521
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O2/c1-2-19(8-10-5-6-21-9-10)15(20)14-12-7-11(16)3-4-13(12)17-18-14/h3-4,7,10H,2,5-6,8-9,16H2,1H3,(H,17,18)
InChIKeyPFHVDQNQXMLZLS-UHFFFAOYSA-N
XLogP1.64
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080957
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
CID 94177007
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779
N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
CID 51082580
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
5-amino-N,N-bis(cyanomethyl)-1H-indazole-3-carboxamide
CID 54944392
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61114635

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide (CID 61116521) is 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide is CCN(CC1CCOC1)C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is PFHVDQNQXMLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-19(8-10-5-6-21-9-10)15(20)14-12-7-11(16)3-4-13(12)17-18-14/h3-4,7,10H,2,5-6,8-9,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide?
5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 61116521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).