5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

C12H15N3O2 — CID 37394680

IUPAC5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCCn2cccn2)o1
InChIInChI=1S/C12H15N3O2/c1-10-4-5-11(17-10)12(16)13-6-2-8-15-9-3-7-14-15/h3-5,7,9H,2,6,8H2,1H3,(H,13,16)
InChIKeyZIEXLTNVDNJKMX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds5

About 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 37394680) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
PubChem CID37394680
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCCn2cccn2)o1
InChIInChI=1S/C12H15N3O2/c1-10-4-5-11(17-10)12(16)13-6-2-8-15-9-3-7-14-15/h3-5,7,9H,2,6,8H2,1H3,(H,13,16)
InChIKeyZIEXLTNVDNJKMX-UHFFFAOYSA-N
XLogP1.60
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.60
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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Related Compounds

5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19452599
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
5-[(3-methyl-4-nitrophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19332346
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37394488
N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19332332
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359
5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55774997
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (CID 37394680) is 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is Cc1ccc(C(=O)NCCCn2cccn2)o1.
What is the InChIKey of 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is ZIEXLTNVDNJKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-10-4-5-11(17-10)12(16)13-6-2-8-15-9-3-7-14-15/h3-5,7,9H,2,6,8H2,1H3,(H,13,16).
What are the key properties of 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 37394680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).