N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide

C15H17N3O — CID 18225967

IUPACN-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide
SMILESC#CC(CC)(CC)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c1-4-15(5-2,6-3)16-14(19)13-11-9-7-8-10-12(11)17-18-13/h1,7-10H,5-6H2,2-3H3,(H,16,19)(H,17,18)
InChIKeyBFPUABQSRLFLBZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.48
Rot. Bonds4

About N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide

N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide (PubChem CID 18225967) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide
PubChem CID18225967
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide
SMILESC#CC(CC)(CC)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c1-4-15(5-2,6-3)16-14(19)13-11-9-7-8-10-12(11)17-18-13/h1,7-10H,5-6H2,2-3H3,(H,16,19)(H,17,18)
InChIKeyBFPUABQSRLFLBZ-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide (CID 18225967) is N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide is C#CC(CC)(CC)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is BFPUABQSRLFLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-15(5-2,6-3)16-14(19)13-11-9-7-8-10-12(11)17-18-13/h1,7-10H,5-6H2,2-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide?
N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 18225967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).