N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide

C16H20N4O2 — CID 77079827

IUPACN-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C(=O)c1cccn1C
InChIInChI=1S/C16H20N4O2/c1-19-9-5-8-14(19)15(21)16(22)20(2)10-13-11-6-3-4-7-12(11)17-18-13/h5,8-9H,3-4,6-7,10H2,1-2H3,(H,17,18)
InChIKeyUAGKSOCGVBYPLW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.47
Rot. Bonds4

About N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide

N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide (PubChem CID 77079827) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
PubChem CID77079827
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C(=O)c1cccn1C
InChIInChI=1S/C16H20N4O2/c1-19-9-5-8-14(19)15(21)16(22)20(2)10-13-11-6-3-4-7-12(11)17-18-13/h5,8-9H,3-4,6-7,10H2,1-2H3,(H,17,18)
InChIKeyUAGKSOCGVBYPLW-UHFFFAOYSA-N
XLogP1.47
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 156587065
N,4-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137339686
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 50967991
N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 50960239
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide
CID 119061772
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
1-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 72885761
N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
CID 90650169
3-[(1S)-1-(4-fluorophenyl)ethyl]-1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methylurea
CID 126439991
1-[1-methyl-5-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]pyrrol-3-yl]ethanone
CID 77080279
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 50953300
(2S)-2-(4-hydroxyphenyl)-2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]acetic acid
CID 97207894

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide (CID 77079827) is N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)C(=O)c1cccn1C.
What is the InChIKey of N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The InChIKey is UAGKSOCGVBYPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-9-5-8-14(19)15(21)16(22)20(2)10-13-11-6-3-4-7-12(11)17-18-13/h5,8-9H,3-4,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide is sourced from PubChem (CID 77079827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).