N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide

C18H19N3O2 — CID 46107930

IUPACN-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H19N3O2/c1-12(2)14-4-6-16(7-5-14)21-13(3)10-17(20-21)19-18(22)15-8-9-23-11-15/h4-12H,1-3H3,(H,19,20,22)
InChIKeyARHDPMUJGCKWDE-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.15
Rot. Bonds4

About N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide

N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide (PubChem CID 46107930) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide
PubChem CID46107930
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H19N3O2/c1-12(2)14-4-6-16(7-5-14)21-13(3)10-17(20-21)19-18(22)15-8-9-23-11-15/h4-12H,1-3H3,(H,19,20,22)
InChIKeyARHDPMUJGCKWDE-UHFFFAOYSA-N
XLogP4.15
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide (CID 46107930) is N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide is Cc1cc(NC(=O)c2ccoc2)nn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide?
The InChIKey is ARHDPMUJGCKWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(2)14-4-6-16(7-5-14)21-13(3)10-17(20-21)19-18(22)15-8-9-23-11-15/h4-12H,1-3H3,(H,19,20,22).
What are the key properties of N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide?
N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 46107930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).