N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C21H24N4O3 — CID 9080292

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)NCC(=O)NCc3ccco3)c2C)cc1
InChIInChI=1S/C21H24N4O3/c1-14-6-8-17(9-7-14)13-25-16(3)20(15(2)24-25)21(27)23-12-19(26)22-11-18-5-4-10-28-18/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyNYDMQWGALNFJSZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 9080292) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID9080292
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)NCC(=O)NCc3ccco3)c2C)cc1
InChIInChI=1S/C21H24N4O3/c1-14-6-8-17(9-7-14)13-25-16(3)20(15(2)24-25)21(27)23-12-19(26)22-11-18-5-4-10-28-18/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyNYDMQWGALNFJSZ-UHFFFAOYSA-N
XLogP2.50
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 9080748
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 17430964
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 31638385
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
CID 24563594
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
N-(2-benzylsulfanylethyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9470309
1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19342457
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 9080292) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1ccc(Cn2nc(C)c(C(=O)NCC(=O)NCc3ccco3)c2C)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NYDMQWGALNFJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-6-8-17(9-7-14)13-25-16(3)20(15(2)24-25)21(27)23-12-19(26)22-11-18-5-4-10-28-18/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 9080292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).