N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide

C18H25N3O — CID 123429310

IUPACN-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide
SMILESC=CC(C)(C)NC(=O)c1nn(CCCCC)c2ccccc12
InChIInChI=1S/C18H25N3O/c1-5-7-10-13-21-15-12-9-8-11-14(15)16(20-21)17(22)19-18(3,4)6-2/h6,8-9,11-12H,2,5,7,10,13H2,1,3-4H3,(H,19,22)
InChIKeyHBWVFGBOGBESHE-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.92
Rot. Bonds7

About N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide

N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide (PubChem CID 123429310) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide
PubChem CID123429310
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide
SMILESC=CC(C)(C)NC(=O)c1nn(CCCCC)c2ccccc12
InChIInChI=1S/C18H25N3O/c1-5-7-10-13-21-15-12-9-8-11-14(15)16(20-21)17(22)19-18(3,4)6-2/h6,8-9,11-12H,2,5,7,10,13H2,1,3-4H3,(H,19,22)
InChIKeyHBWVFGBOGBESHE-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.92
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

N-methyl-1-pent-4-enylindazole-3-carboxamide
CID 169175669
N-(1,3-benzodioxol-5-ylmethyl)-1-hexylindazole-3-carboxamide
CID 170909402
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)indazole-3-carboxamide
CID 132988664
4-[3-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]indazol-1-yl]butanoic acid
CID 165361556
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide
CID 172871875
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide
CID 156818007
(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 170857562
3,3-dimethyl-2-(1-pent-4-enylindazole-3-carbonyl)iminobutanoic acid;ethane
CID 169175726
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
1-nonylindazol-3-amine
CID 63489930
1-but-3-enylindazole-3-carboxylic acid
CID 18695576

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide?
The IUPAC name of N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide (CID 123429310) is N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide?
The canonical SMILES for N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide is C=CC(C)(C)NC(=O)c1nn(CCCCC)c2ccccc12.
What is the InChIKey of N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide?
The InChIKey is HBWVFGBOGBESHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-7-10-13-21-15-12-9-8-11-14(15)16(20-21)17(22)19-18(3,4)6-2/h6,8-9,11-12H,2,5,7,10,13H2,1,3-4H3,(H,19,22).
What are the key properties of N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide?
N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide is sourced from PubChem (CID 123429310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).