N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide

C20H22N4O3 — CID 9172095

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccccc2NC(=O)c2ccco2)n1
InChIInChI=1S/C20H22N4O3/c1-14-13-15(2)24(23-14)11-6-10-21-19(25)16-7-3-4-8-17(16)22-20(26)18-9-5-12-27-18/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyRHXFSLIYOYETNY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.17
Rot. Bonds7

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9172095) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID9172095
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccccc2NC(=O)c2ccco2)n1
InChIInChI=1S/C20H22N4O3/c1-14-13-15(2)24(23-14)11-6-10-21-19(25)16-7-3-4-8-17(16)22-20(26)18-9-5-12-27-18/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyRHXFSLIYOYETNY-UHFFFAOYSA-N
XLogP3.17
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide (CID 9172095) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccccc2NC(=O)c2ccco2)n1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RHXFSLIYOYETNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-13-15(2)24(23-14)11-6-10-21-19(25)16-7-3-4-8-17(16)22-20(26)18-9-5-12-27-18/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9172095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).