3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide

C11H11N3O2 — CID 61393608

IUPAC3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccn[nH]2)o1
InChIInChI=1S/C11H11N3O2/c1-8-2-3-9(16-8)4-5-11(15)13-10-6-7-12-14-10/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyVASFGKCQSXEYLX-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.96
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide

3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide (PubChem CID 61393608) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
PubChem CID61393608
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccn[nH]2)o1
InChIInChI=1S/C11H11N3O2/c1-8-2-3-9(16-8)4-5-11(15)13-10-6-7-12-14-10/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyVASFGKCQSXEYLX-UHFFFAOYSA-N
XLogP1.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037411
(E)-4-oxo-4-(1H-pyrazol-5-ylamino)but-2-enoic acid
CID 71670290
N-[2-(dimethylamino)pyrimidin-5-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71910936
2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003732
3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393521
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037436
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide (CID 61393608) is 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2ccn[nH]2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide?
The InChIKey is VASFGKCQSXEYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-2-3-9(16-8)4-5-11(15)13-10-6-7-12-14-10/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide?
3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide has a molecular weight of 217.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 61393608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).