(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone

C14H16N2O2 — CID 898261

IUPAC(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nc(C)cc1C
InChIInChI=1S/C14H16N2O2/c1-4-18-13-8-6-5-7-12(13)14(17)16-11(3)9-10(2)15-16/h5-9H,4H2,1-3H3
InChIKeyUTPTXVSZDXQCJW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.59
Rot. Bonds3

About (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 898261) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID898261
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nc(C)cc1C
InChIInChI=1S/C14H16N2O2/c1-4-18-13-8-6-5-7-12(13)14(17)16-11(3)9-10(2)15-16/h5-9H,4H2,1-3H3
InChIKeyUTPTXVSZDXQCJW-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,5-Dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide
CID 645802
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
1-(3,5-Dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone
CID 730205
(2-Benzyloxyphenyl)(3-(3-piperidinopropoxy)indazol-1-yl)ketone
CID 145722355
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
(3,5-Dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 768297
(5-chloro-2-methoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 887689
2-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509888
1-(2,6-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 897075
(3,5-Dimethoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 754128
(4-methoxyphenyl)(3,4,5-trimethyl-1H-pyrazol-1-yl)methanone
CID 17170079
3-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 708263

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone (CID 898261) is (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)n1nc(C)cc1C.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is UTPTXVSZDXQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-13-8-6-5-7-12(13)14(17)16-11(3)9-10(2)15-16/h5-9H,4H2,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 898261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).