[3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone

C19H20N4O2 — CID 118430527

IUPAC[3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1C(=O)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-4-14-11-20-19(21-12-14)23-13(3)16(18(22-23)25-5-2)17(24)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3
InChIKeyZWYKNSQLHALTRC-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.16
Rot. Bonds6

About [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone

[3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone (PubChem CID 118430527) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone
PubChem CID118430527
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1C(=O)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-4-14-11-20-19(21-12-14)23-13(3)16(18(22-23)25-5-2)17(24)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3
InChIKeyZWYKNSQLHALTRC-UHFFFAOYSA-N
XLogP3.16
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
Ethyl 4-(4-cyanophenoxy)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 1829624
1-{5-methyl-1-[6-(3-methylphenoxy)-4-pyrimidinyl]-1H-pyrazol-4-yl}ethanone
CID 850505
2-(3,5-Dimethyl-pyrazol-1-yl)-4-(4-methoxycarbonyl-phenoxy)-pyrimidine-5-carboxylic acid ethyl ester
CID 1993067
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
CID 118430537
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine
CID 118430651
5-benzoyl-1-ethyl-4-(3-methylbutoxy)-1H-pyrazolo[3,4-b]pyridine
CID 5329795
1-{5-methyl-1-[6-(2-methylphenoxy)-4-pyrimidinyl]-1H-pyrazol-4-yl}ethanone
CID 850503
1-{1-[6-(4-fluorophenoxy)-4-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl}ethanone
CID 1818832
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(2-fluorophenoxy)pyrimidine-5-carboxylate
CID 1949861
2-(4-Benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
CID 118430398
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine
CID 118430399

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone?
The IUPAC name of [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone (CID 118430527) is [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone is CCOc1nn(-c2ncc(CC)cn2)c(C)c1C(=O)c1ccccc1.
What is the InChIKey of [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone?
The InChIKey is ZWYKNSQLHALTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-14-11-20-19(21-12-14)23-13(3)16(18(22-23)25-5-2)17(24)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3.
What are the key properties of [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone?
[3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone has a molecular weight of 336.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-1-(5-ethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 118430527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).