N-methyl-1-pent-4-enylindazole-3-carboxamide

C14H17N3O — CID 169175669

IUPACN-methyl-1-pent-4-enylindazole-3-carboxamide
SMILESC=CCCCn1nc(C(=O)NC)c2ccccc21
InChIInChI=1S/C14H17N3O/c1-3-4-7-10-17-12-9-6-5-8-11(12)13(16-17)14(18)15-2/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,15,18)
InChIKeyCIEYEKBHWKAXOS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.36
Rot. Bonds5

About N-methyl-1-pent-4-enylindazole-3-carboxamide

N-methyl-1-pent-4-enylindazole-3-carboxamide (PubChem CID 169175669) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-1-pent-4-enylindazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-pent-4-enylindazole-3-carboxamide
PubChem CID169175669
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-methyl-1-pent-4-enylindazole-3-carboxamide
SMILESC=CCCCn1nc(C(=O)NC)c2ccccc21
InChIInChI=1S/C14H17N3O/c1-3-4-7-10-17-12-9-6-5-8-11(12)13(16-17)14(18)15-2/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,15,18)
InChIKeyCIEYEKBHWKAXOS-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pent-4-enylindazole-3-carboxamide?
The IUPAC name of N-methyl-1-pent-4-enylindazole-3-carboxamide (CID 169175669) is N-methyl-1-pent-4-enylindazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-pent-4-enylindazole-3-carboxamide?
The canonical SMILES for N-methyl-1-pent-4-enylindazole-3-carboxamide is C=CCCCn1nc(C(=O)NC)c2ccccc21.
What is the InChIKey of N-methyl-1-pent-4-enylindazole-3-carboxamide?
The InChIKey is CIEYEKBHWKAXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-4-7-10-17-12-9-6-5-8-11(12)13(16-17)14(18)15-2/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,15,18).
What are the key properties of N-methyl-1-pent-4-enylindazole-3-carboxamide?
N-methyl-1-pent-4-enylindazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pent-4-enylindazole-3-carboxamide is sourced from PubChem (CID 169175669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).