N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide

C14H19N3O2 — CID 25162249

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(C)o2)n1
InChIInChI=1S/C14H19N3O2/c1-10-9-11(2)17(16-10)8-4-7-15-14(18)13-6-5-12(3)19-13/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyIUAHBJADBCKOLZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.22
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide (PubChem CID 25162249) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide
PubChem CID25162249
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(C)o2)n1
InChIInChI=1S/C14H19N3O2/c1-10-9-11(2)17(16-10)8-4-7-15-14(18)13-6-5-12(3)19-13/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyIUAHBJADBCKOLZ-UHFFFAOYSA-N
XLogP2.22
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide (CID 25162249) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccc(C)o2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide?
The InChIKey is IUAHBJADBCKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-9-11(2)17(16-10)8-4-7-15-14(18)13-6-5-12(3)19-13/h5-6,9H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 25162249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).