(2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone

C16H14N2O2 — CID 43463435

IUPAC(2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnn(-c3ccccc3)c2)c(C)o1
InChIInChI=1S/C16H14N2O2/c1-11-8-15(12(2)20-11)16(19)13-9-17-18(10-13)14-6-4-3-5-7-14/h3-10H,1-2H3
InChIKeyJZSRFDDAZXRZBH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.31
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone

(2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 43463435) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID43463435
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnn(-c3ccccc3)c2)c(C)o1
InChIInChI=1S/C16H14N2O2/c1-11-8-15(12(2)20-11)16(19)13-9-17-18(10-13)14-6-4-3-5-7-14/h3-10H,1-2H3
InChIKeyJZSRFDDAZXRZBH-UHFFFAOYSA-N
XLogP3.31
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 43340191
(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 902212
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
(5-fluoro-3-pyridinyl)-(1-phenylpyrazol-4-yl)methanone
CID 105081916
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
2-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 54092453
(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
CID 114990512
(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463443

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone (CID 43463435) is (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone is Cc1cc(C(=O)c2cnn(-c3ccccc3)c2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is JZSRFDDAZXRZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-8-15(12(2)20-11)16(19)13-9-17-18(10-13)14-6-4-3-5-7-14/h3-10H,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone?
(2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 43463435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).