5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H25N3O — CID 25161459

IUPAC5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC=CCNC(=O)c1n[nH]c2c1CC(C(C)(C)CC)CC2
InChIInChI=1S/C16H25N3O/c1-5-9-17-15(20)14-12-10-11(16(3,4)6-2)7-8-13(12)18-19-14/h5,11H,1,6-10H2,2-4H3,(H,17,20)(H,18,19)
InChIKeyJAAJNHVROLXXSD-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.87
Rot. Bonds5

About 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 25161459) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID25161459
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC=CCNC(=O)c1n[nH]c2c1CC(C(C)(C)CC)CC2
InChIInChI=1S/C16H25N3O/c1-5-9-17-15(20)14-12-10-11(16(3,4)6-2)7-8-13(12)18-19-14/h5,11H,1,6-10H2,2-4H3,(H,17,20)(H,18,19)
InChIKeyJAAJNHVROLXXSD-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 25161459) is 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is C=CCNC(=O)c1n[nH]c2c1CC(C(C)(C)CC)CC2.
What is the InChIKey of 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is JAAJNHVROLXXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-9-17-15(20)14-12-10-11(16(3,4)6-2)7-8-13(12)18-19-14/h5,11H,1,6-10H2,2-4H3,(H,17,20)(H,18,19).
What are the key properties of 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 25161459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).