N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide

C20H22N4O3 — CID 43036802

IUPACN-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H22N4O3/c1-14-7-9-16(10-8-14)24-18(13-15(2)23-24)22-19(25)6-3-11-21-20(26)17-5-4-12-27-17/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyLTVXILPWHAXXCJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.23
Rot. Bonds7

About N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 43036802) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID43036802
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H22N4O3/c1-14-7-9-16(10-8-14)24-18(13-15(2)23-24)22-19(25)6-3-11-21-20(26)17-5-4-12-27-17/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyLTVXILPWHAXXCJ-UHFFFAOYSA-N
XLogP3.23
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34618260
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
CID 24681410
4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
CID 3549252
N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 31923776
4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride
CID 119797176
N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 86788589
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 29383206
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970020

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide (CID 43036802) is N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide is Cc1ccc(-n2nc(C)cc2NC(=O)CCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is LTVXILPWHAXXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-7-9-16(10-8-14)24-18(13-15(2)23-24)22-19(25)6-3-11-21-20(26)17-5-4-12-27-17/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 43036802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).