1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide

C15H17N3O2 — CID 103118179

IUPAC1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(=O)CC2)c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-18-13-5-3-2-4-12(13)14(17-18)15(20)16-10-6-8-11(19)9-7-10/h2-5,10H,6-9H2,1H3,(H,16,20)
InChIKeyNOSAGOWVVLLZAW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.81
Rot. Bonds2

About 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide

1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide (PubChem CID 103118179) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
PubChem CID103118179
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(=O)CC2)c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-18-13-5-3-2-4-12(13)14(17-18)15(20)16-10-6-8-11(19)9-7-10/h2-5,10H,6-9H2,1H3,(H,16,20)
InChIKeyNOSAGOWVVLLZAW-UHFFFAOYSA-N
XLogP1.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255
1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide
CID 127307639
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 67274324
N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2677364
(Z)-but-2-enedioic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 53251841
1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
CID 103117381

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide (CID 103118179) is 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide is Cn1nc(C(=O)NC2CCC(=O)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide?
The InChIKey is NOSAGOWVVLLZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-13-5-3-2-4-12(13)14(17-18)15(20)16-10-6-8-11(19)9-7-10/h2-5,10H,6-9H2,1H3,(H,16,20).
What are the key properties of 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide?
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide is sourced from PubChem (CID 103118179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).