(Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one

C12H12N2O3 — CID 139178701

IUPAC(Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
SMILESCc1cc(/C(O)=C/C(=O)c2ccco2)nn1C
InChIInChI=1S/C12H12N2O3/c1-8-6-9(13-14(8)2)10(15)7-11(16)12-4-3-5-17-12/h3-7,15H,1-2H3/b10-7-
InChIKeyCJVCSEVMIRSHAC-YFHOEESVSA-N
MW232.24 g/mol
LogP2.10
Rot. Bonds3

About (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one

(Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one (PubChem CID 139178701) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
PubChem CID139178701
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
SMILESCc1cc(/C(O)=C/C(=O)c2ccco2)nn1C
InChIInChI=1S/C12H12N2O3/c1-8-6-9(13-14(8)2)10(15)7-11(16)12-4-3-5-17-12/h3-7,15H,1-2H3/b10-7-
InChIKeyCJVCSEVMIRSHAC-YFHOEESVSA-N
XLogP2.10
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one?
The IUPAC name of (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one (CID 139178701) is (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one?
The canonical SMILES for (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one is Cc1cc(/C(O)=C/C(=O)c2ccco2)nn1C.
What is the InChIKey of (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one?
The InChIKey is CJVCSEVMIRSHAC-YFHOEESVSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-6-9(13-14(8)2)10(15)7-11(16)12-4-3-5-17-12/h3-7,15H,1-2H3/b10-7-.
What are the key properties of (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one?
(Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one has a molecular weight of 232.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one is sourced from PubChem (CID 139178701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).