(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone

C12H14N2O3 — CID 114642420

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1ccoc1C
InChIInChI=1S/C12H14N2O3/c1-4-14-11(10(16-3)7-13-14)12(15)9-5-6-17-8(9)2/h5-7H,4H2,1-3H3
InChIKeyUTUPNHYDCXHTEU-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.04
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone

(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 114642420) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone
PubChem CID114642420
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1ccoc1C
InChIInChI=1S/C12H14N2O3/c1-4-14-11(10(16-3)7-13-14)12(15)9-5-6-17-8(9)2/h5-7H,4H2,1-3H3
InChIKeyUTUPNHYDCXHTEU-UHFFFAOYSA-N
XLogP2.04
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
[4-(dimethylamino)phenyl]-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105132998
(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone
CID 106847992
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641940
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
3-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)pent-2-en-1-one
CID 103458666
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone (CID 114642420) is (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone is CCn1ncc(OC)c1C(=O)c1ccoc1C.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is UTUPNHYDCXHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-14-11(10(16-3)7-13-14)12(15)9-5-6-17-8(9)2/h5-7H,4H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone?
(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone has a molecular weight of 234.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 114642420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).