7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide

C18H25N3O — CID 154709182

IUPAC7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide
SMILESC=C(C)Cc1cccc2cnn(C(=O)N(C(C)C)C(C)C)c12
InChIInChI=1S/C18H25N3O/c1-12(2)10-15-8-7-9-16-11-19-21(17(15)16)18(22)20(13(3)4)14(5)6/h7-9,11,13-14H,1,10H2,2-6H3
InChIKeyBOQCLKDYKAUCKJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.24
Rot. Bonds4

About 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide

7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide (PubChem CID 154709182) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide.

Molecular Properties

Compound Name7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide
PubChem CID154709182
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide
SMILESC=C(C)Cc1cccc2cnn(C(=O)N(C(C)C)C(C)C)c12
InChIInChI=1S/C18H25N3O/c1-12(2)10-15-8-7-9-16-11-19-21(17(15)16)18(22)20(13(3)4)14(5)6/h7-9,11,13-14H,1,10H2,2-6H3
InChIKeyBOQCLKDYKAUCKJ-UHFFFAOYSA-N
XLogP4.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Metazachlor metabolite M6
CID 51071992
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793
1-Cycloheptyl-1-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10646964
1-Cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 11797565
3-[[1-(4-Fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea
CID 45268404
N-(4-phenylbutyl)indazole-1-carboxamide
CID 137649927
N-hexylindazole-1-carboxamide
CID 137653597
1,6-Dimethyl-5-[7-methyl-2-(1-methylpiperidin-4-yl)indazol-5-yl]pyridin-2-one
CID 156010975
1-(1H-Indazol-1-yl)ethanone
CID 275547
1-(5-Methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione
CID 6625613
1-(5-Methylindazol-1-yl)-4-piperidino-butane-1,4-dione
CID 22510093

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide?
The IUPAC name of 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide (CID 154709182) is 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide.
What is the SMILES notation for 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide?
The canonical SMILES for 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide is C=C(C)Cc1cccc2cnn(C(=O)N(C(C)C)C(C)C)c12.
What is the InChIKey of 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide?
The InChIKey is BOQCLKDYKAUCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)10-15-8-7-9-16-11-19-21(17(15)16)18(22)20(13(3)4)14(5)6/h7-9,11,13-14H,1,10H2,2-6H3.
What are the key properties of 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide?
7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylprop-2-enyl)-N,N-di(propan-2-yl)indazole-1-carboxamide is sourced from PubChem (CID 154709182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).