2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide

C19H20N4O3 — CID 46992303

IUPAC2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)n[nH]1
InChIInChI=1S/C19H20N4O3/c1-12-10-16(22-21-12)11-23(3)19(25)14-4-6-15(7-5-14)20-18(24)17-8-9-26-13(17)2/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyDLUWQCILWIOXAR-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.14
Rot. Bonds5

About 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide

2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide (PubChem CID 46992303) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
PubChem CID46992303
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)n[nH]1
InChIInChI=1S/C19H20N4O3/c1-12-10-16(22-21-12)11-23(3)19(25)14-4-6-15(7-5-14)20-18(24)17-8-9-26-13(17)2/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyDLUWQCILWIOXAR-UHFFFAOYSA-N
XLogP3.14
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide with MolForge

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Related Compounds

N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5433092
N-(4-{N-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5454921
N-(3-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 9617778
1-(2,5-dimethyl-3-furoyl)-N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-2-piperidinecarboxamide
CID 24791263
N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-(2-methyl-3-furoyl)-2-piperidinecarboxamide
CID 24816693
US10022354, Example 180
CID 121279565
US10022354, Example 136
CID 121279668
US10022354, Example 129
CID 121279671
US10022354, Example 201
CID 121279734
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4878531
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2,5-dimethylfuran-3-carbohydrazide
CID 6861731
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 20919855

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide (CID 46992303) is 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide is Cc1cc(CN(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)n[nH]1.
What is the InChIKey of 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The InChIKey is DLUWQCILWIOXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-10-16(22-21-12)11-23(3)19(25)14-4-6-15(7-5-14)20-18(24)17-8-9-26-13(17)2/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 46992303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).