N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide

C16H24N4O3 — CID 136587959

IUPACN-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide
SMILESCOCCn1ncc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c1C
InChIInChI=1S/C16H24N4O3/c1-11-12(10-17-20(11)7-8-23-2)15(22)19-16-6-4-3-5-13(16)18-14(21)9-16/h10,13H,3-9H2,1-2H3,(H,18,21)(H,19,22)/t13-,16+/m0/s1
InChIKeyKYDYIHSECNUKAQ-XJKSGUPXSA-N
MW320.39 g/mol
LogP0.77
Rot. Bonds5

About N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide

N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide (PubChem CID 136587959) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide
PubChem CID136587959
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide
SMILESCOCCn1ncc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c1C
InChIInChI=1S/C16H24N4O3/c1-11-12(10-17-20(11)7-8-23-2)15(22)19-16-6-4-3-5-13(16)18-14(21)9-16/h10,13H,3-9H2,1-2H3,(H,18,21)(H,19,22)/t13-,16+/m0/s1
InChIKeyKYDYIHSECNUKAQ-XJKSGUPXSA-N
XLogP0.77
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114300573
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CID 120546076
1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120512739
N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide
CID 60709599
N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 77090380
N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide
CID 154869729
4-bromo-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114440168
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115693522
5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide
CID 97246004
4-chloro-5-[(2-hydroxycycloheptyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114441395
4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole
CID 114665250
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycyclopentyl)methanone
CID 114642409

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide (CID 136587959) is N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide is COCCn1ncc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c1C.
What is the InChIKey of N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is KYDYIHSECNUKAQ-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-12(10-17-20(11)7-8-23-2)15(22)19-16-6-4-3-5-13(16)18-14(21)9-16/h10,13H,3-9H2,1-2H3,(H,18,21)(H,19,22)/t13-,16+/m0/s1.
What are the key properties of N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide?
N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136587959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).