N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide

C22H22N4O — CID 97446718

IUPACN-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccn(C(C)C)n3)n3ccccc23)c1
InChIInChI=1S/C22H22N4O/c1-15(2)26-12-10-19(24-26)21-14-18(20-9-4-5-11-25(20)21)22(27)23-17-8-6-7-16(3)13-17/h4-15H,1-3H3,(H,23,27)
InChIKeyXFHMXKQXILYTLC-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.94
Rot. Bonds4

About N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide

N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide (PubChem CID 97446718) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide
PubChem CID97446718
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccn(C(C)C)n3)n3ccccc23)c1
InChIInChI=1S/C22H22N4O/c1-15(2)26-12-10-19(24-26)21-14-18(20-9-4-5-11-25(20)21)22(27)23-17-8-6-7-16(3)13-17/h4-15H,1-3H3,(H,23,27)
InChIKeyXFHMXKQXILYTLC-UHFFFAOYSA-N
XLogP4.94
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide
CID 97446716
cyclopropyl-[3-(1-propan-2-ylpyrazol-3-yl)indolizin-1-yl]methanone
CID 134690490
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
1-N-(3,4-dimethylphenyl)-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071931
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 84551318
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
6-amino-N-(3-methylphenyl)-7-(2-methylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 2143832
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide
CID 18576382
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide (CID 97446718) is N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccn(C(C)C)n3)n3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide?
The InChIKey is XFHMXKQXILYTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15(2)26-12-10-19(24-26)21-14-18(20-9-4-5-11-25(20)21)22(27)23-17-8-6-7-16(3)13-17/h4-15H,1-3H3,(H,23,27).
What are the key properties of N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide?
N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide is sourced from PubChem (CID 97446718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).