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

C18H17N3O3 — CID 86788589

IUPACN-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCC(=O)c3ccco3)cc2C)cc1
InChIInChI=1S/C18H17N3O3/c1-12-5-7-14(8-6-12)21-13(2)10-15(20-21)18(23)19-11-16(22)17-4-3-9-24-17/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyKPKBHOHZGJROKL-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.69
Rot. Bonds5

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

N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 86788589) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID86788589
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCC(=O)c3ccco3)cc2C)cc1
InChIInChI=1S/C18H17N3O3/c1-12-5-7-14(8-6-12)21-13(2)10-15(20-21)18(23)19-11-16(22)17-4-3-9-24-17/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyKPKBHOHZGJROKL-UHFFFAOYSA-N
XLogP2.69
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71919540
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide
CID 630769
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 110372802
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 43036802
4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 120519400
1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 110373177
N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 75472443

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide (CID 86788589) is N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NCC(=O)c3ccco3)cc2C)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is KPKBHOHZGJROKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-5-7-14(8-6-12)21-13(2)10-15(20-21)18(23)19-11-16(22)17-4-3-9-24-17/h3-10H,11H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 86788589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).