4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole

C14H18N2O2 — CID 162634053

IUPAC4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
SMILESCCn1ncc(-c2cccc(OC)c2OC)c1C
InChIInChI=1S/C14H18N2O2/c1-5-16-10(2)12(9-15-16)11-7-6-8-13(17-3)14(11)18-4/h6-9H,5H2,1-4H3
InChIKeyAJRUBLGQZVTWSP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.90
Rot. Bonds4

About 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole

4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole (PubChem CID 162634053) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
PubChem CID162634053
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
SMILESCCn1ncc(-c2cccc(OC)c2OC)c1C
InChIInChI=1S/C14H18N2O2/c1-5-16-10(2)12(9-15-16)11-7-6-8-13(17-3)14(11)18-4/h6-9H,5H2,1-4H3
InChIKeyAJRUBLGQZVTWSP-UHFFFAOYSA-N
XLogP2.90
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
CID 162636745
3-(1-ethyl-5-methylpyrazol-4-yl)-2-methylaniline
CID 107627213
3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
CID 113301247
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide
CID 35762282
4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 122558064
2-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099113
3,12-bis(2,3-dimethoxyphenyl)-1,2,4,5,7,8,10,11-octazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 156905120
4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole
CID 162625614
5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine
CID 171913716
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596566
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole (CID 162634053) is 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole is CCn1ncc(-c2cccc(OC)c2OC)c1C.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole?
The InChIKey is AJRUBLGQZVTWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-16-10(2)12(9-15-16)11-7-6-8-13(17-3)14(11)18-4/h6-9H,5H2,1-4H3.
What are the key properties of 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole?
4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole has a molecular weight of 246.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole is sourced from PubChem (CID 162634053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).