2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide

C22H22N4O2 — CID 86610375

IUPAC2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(Cc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C22H22N4O2/c1-3-26-20(10-14(2)25-26)22(28)23-18-7-4-15(5-8-18)11-16-6-9-19-17(12-16)13-21(27)24-19/h4-10,12H,3,11,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyHZSWNIOXFMFXID-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.55
Rot. Bonds5

About 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 86610375) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide
PubChem CID86610375
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(Cc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C22H22N4O2/c1-3-26-20(10-14(2)25-26)22(28)23-18-7-4-15(5-8-18)11-16-6-9-19-17(12-16)13-21(27)24-19/h4-10,12H,3,11,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyHZSWNIOXFMFXID-UHFFFAOYSA-N
XLogP3.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
CID 131946446
N-[3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]acetamide
CID 170984996
2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 90745562
2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
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CID 113278409
2-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
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CID 66120978
2-ethyl-N-(3-fluoro-4-methylsulfonylphenyl)-5-methylpyrazole-3-carboxamide
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4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
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2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206
2,4-dimethyl-N-(2-oxo-1,3-dihydroindol-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 121328769
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide (CID 86610375) is 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ccc(Cc2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is HZSWNIOXFMFXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-26-20(10-14(2)25-26)22(28)23-18-7-4-15(5-8-18)11-16-6-9-19-17(12-16)13-21(27)24-19/h4-10,12H,3,11,13H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86610375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).