N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C17H20N4O3 — CID 110248209

IUPACN,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCNC(=O)C1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21
InChIInChI=1S/C17H20N4O3/c1-18-17(23)14-10-21(9-12-8-20(2)19-16(12)14)15(22)11-24-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3,(H,18,23)
InChIKeyCDAXXJPAVBABRR-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.67
Rot. Bonds4

About N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110248209) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID110248209
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCNC(=O)C1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21
InChIInChI=1S/C17H20N4O3/c1-18-17(23)14-10-21(9-12-8-20(2)19-16(12)14)15(22)11-24-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3,(H,18,23)
InChIKeyCDAXXJPAVBABRR-UHFFFAOYSA-N
XLogP0.67
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24791711
N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24791783
N-({1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-2-(2-methoxyphenoxy)acetamide
CID 24793254
1-(3-methoxybenzyl)-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817121
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817132
N-({1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-2-(2-methoxyphenoxy)acetamide
CID 24820102
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-2-phenoxyacetohydrazide
CID 5454904
1-(2-methoxybenzyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24793286
1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24818870
N-(4-fluorobenzyl)-5-[(4-fluorophenoxy)acetyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066573
N-[(2-Ethoxyphenyl)methyl]-3-(3-methyl-1H-pyrazol-1-YL)butanamide
CID 16026657
1-(3-methoxybenzyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24790236

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110248209) is N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is CNC(=O)C1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21.
What is the InChIKey of N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is CDAXXJPAVBABRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-18-17(23)14-10-21(9-12-8-20(2)19-16(12)14)15(22)11-24-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3,(H,18,23).
What are the key properties of N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(2-phenoxyacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110248209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).