(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone

C14H15FN2O2 — CID 115810306

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-4-17-13(12(19-3)8-16-17)14(18)10-7-9(2)5-6-11(10)15/h5-8H,4H2,1-3H3
InChIKeyRAJXTRZVGYDECG-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.59
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone

(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 115810306) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID115810306
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-4-17-13(12(19-3)8-16-17)14(18)10-7-9(2)5-6-11(10)15/h5-8H,4H2,1-3H3
InChIKeyRAJXTRZVGYDECG-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone
CID 114642420
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114641511
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
[4-(dimethylamino)phenyl]-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105132998
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone (CID 115810306) is (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone is CCn1ncc(OC)c1C(=O)c1cc(C)ccc1F.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is RAJXTRZVGYDECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-4-17-13(12(19-3)8-16-17)14(18)10-7-9(2)5-6-11(10)15/h5-8H,4H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone?
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 262.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 115810306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).