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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Related Compounds

1-but-3-enylindazole-3-carboxylic acid
CID 18695576
3,3-dimethyl-2-(1-pent-4-enylindazole-3-carbonyl)iminobutanoic acid;ethane
CID 169175726
N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide
CID 123429310
N-[1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-pent-4-enylindazole-3-carboxamide
CID 169175623
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
(2S)-2-amino-N,N'-bis[2-[2-[2-[2-[[(2S)-3,3-dimethyl-2-[(1-pent-4-enylindazole-3-carbonyl)amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]pentanediamide
CID 172635080
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-1-pent-4-ynylindazole-3-carboxamide
CID 169175694
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
1-(3-methylsulfonylpropyl)indazole-3-carboxylic acid
CID 55158701
methyl 1-(3-cyanopropyl)indazole-3-carboxylate
CID 68892890
ethyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 90286417
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)indazole-3-carboxamide
CID 132988664

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).