methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate

C21H23N3O4 — CID 36626711

IUPACmethyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1
InChIInChI=1S/C21H23N3O4/c1-15-11-12-18(28-15)20-17(14-24(22-20)16-8-5-4-6-9-16)21(26)23(2)13-7-10-19(25)27-3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3
InChIKeyVTXODFIBQBZHRM-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.47
Rot. Bonds7

About methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate

methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate (PubChem CID 36626711) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
PubChem CID36626711
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemethyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1
InChIInChI=1S/C21H23N3O4/c1-15-11-12-18(28-15)20-17(14-24(22-20)16-8-5-4-6-9-16)21(26)23(2)13-7-10-19(25)27-3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3
InChIKeyVTXODFIBQBZHRM-UHFFFAOYSA-N
XLogP3.47
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate with MolForge

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 110878130
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 18109631
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-[2-(4-methoxyphenoxy)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55416323
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55339723
3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78812981
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55344293
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202076

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate (CID 36626711) is methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate is COC(=O)CCCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1.
What is the InChIKey of methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate?
The InChIKey is VTXODFIBQBZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-11-12-18(28-15)20-17(14-24(22-20)16-8-5-4-6-9-16)21(26)23(2)13-7-10-19(25)27-3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3.
What are the key properties of methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate?
methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate has a molecular weight of 381.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate is sourced from PubChem (CID 36626711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).