(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone

C14H16N2O2 — CID 114972499

IUPAC(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
SMILESCCn1nccc1C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H16N2O2/c1-4-16-12(7-8-15-16)14(17)11-9-10(2)5-6-13(11)18-3/h5-9H,4H2,1-3H3
InChIKeyNHRJHAHEFSQVFW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.45
Rot. Bonds4

About (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone

(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 114972499) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID114972499
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
SMILESCCn1nccc1C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H16N2O2/c1-4-16-12(7-8-15-16)14(17)11-9-10(2)5-6-13(11)18-3/h5-9H,4H2,1-3H3
InChIKeyNHRJHAHEFSQVFW-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972656
(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone
CID 114213089
(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
CID 114972270
(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972489
(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877629
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972479
4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 62505239
(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 63976130
(5-bromo-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 112742131

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone (CID 114972499) is (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone is CCn1nccc1C(=O)c1cc(C)ccc1OC.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is NHRJHAHEFSQVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-16-12(7-8-15-16)14(17)11-9-10(2)5-6-13(11)18-3/h5-9H,4H2,1-3H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone?
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 114972499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).