N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

C13H17N3O2 — CID 46339419

IUPACN-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2ccc(C)o2)n1
InChIInChI=1S/C13H17N3O2/c1-10-5-7-16(15-10)8-6-13(17)14-9-12-4-3-11(2)18-12/h3-5,7H,6,8-9H2,1-2H3,(H,14,17)
InChIKeyVFSBZQJITMPBJO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.80
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 46339419) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID46339419
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2ccc(C)o2)n1
InChIInChI=1S/C13H17N3O2/c1-10-5-7-16(15-10)8-6-13(17)14-9-12-4-3-11(2)18-12/h3-5,7H,6,8-9H2,1-2H3,(H,14,17)
InChIKeyVFSBZQJITMPBJO-UHFFFAOYSA-N
XLogP1.80
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 46339419) is N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCc2ccc(C)o2)n1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is VFSBZQJITMPBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-5-7-16(15-10)8-6-13(17)14-9-12-4-3-11(2)18-12/h3-5,7H,6,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46339419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).