1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide

C16H18N4O2 — CID 97362064

IUPAC1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1ccn(-c2ccc3ccccn23)n1
InChIInChI=1S/C16H18N4O2/c1-22-12-4-9-17-16(21)14-8-11-20(18-14)15-7-6-13-5-2-3-10-19(13)15/h2-3,5-8,10-11H,4,9,12H2,1H3,(H,17,21)
InChIKeyMXDXGIVDJCBJQF-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.89
Rot. Bonds6

About 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide

1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide (PubChem CID 97362064) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide
PubChem CID97362064
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1ccn(-c2ccc3ccccn23)n1
InChIInChI=1S/C16H18N4O2/c1-22-12-4-9-17-16(21)14-8-11-20(18-14)15-7-6-13-5-2-3-10-19(13)15/h2-3,5-8,10-11H,4,9,12H2,1H3,(H,17,21)
InChIKeyMXDXGIVDJCBJQF-UHFFFAOYSA-N
XLogP1.89
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745480
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 97447425
N-[3-(dimethylamino)propyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362124
N-(3-fluorophenyl)-1-indolizin-3-ylpyrazole-3-carboxamide
CID 97362048
N-propyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447362
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447361
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447325
1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447454
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551

Frequently Asked Questions

What is the IUPAC name of 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide (CID 97362064) is 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide is COCCCNC(=O)c1ccn(-c2ccc3ccccn23)n1.
What is the InChIKey of 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The InChIKey is MXDXGIVDJCBJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-12-4-9-17-16(21)14-8-11-20(18-14)15-7-6-13-5-2-3-10-19(13)15/h2-3,5-8,10-11H,4,9,12H2,1H3,(H,17,21).
What are the key properties of 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide?
1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 97362064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).