N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C22H20N4O2 — CID 90551510

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C22H20N4O2/c1-16-21(15-24-26(16)20-8-4-3-5-9-20)22(28)23-14-6-7-18-10-12-19(13-11-18)25-17(2)27/h3-5,8-13,15H,14H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyDSWUTCOFXZGTEB-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.92
Rot. Bonds4

About N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 90551510) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID90551510
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C22H20N4O2/c1-16-21(15-24-26(16)20-8-4-3-5-9-20)22(28)23-14-6-7-18-10-12-19(13-11-18)25-17(2)27/h3-5,8-13,15H,14H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyDSWUTCOFXZGTEB-UHFFFAOYSA-N
XLogP2.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-acetylphenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90549430
5-methyl-1-phenyl-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]pyrazole-4-carboxamide
CID 90550697
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90551553
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 90551510) is N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide is CC(=O)Nc1ccc(C#CCNC(=O)c2cnn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DSWUTCOFXZGTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-16-21(15-24-26(16)20-8-4-3-5-9-20)22(28)23-14-6-7-18-10-12-19(13-11-18)25-17(2)27/h3-5,8-13,15H,14H2,1-2H3,(H,23,28)(H,25,27).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenyl)prop-2-ynyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 90551510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).