4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole

C13H16N2O — CID 170591109

IUPAC4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
SMILESCCc1cc(OC)cc(-c2cnn(C)c2)c1
InChIInChI=1S/C13H16N2O/c1-4-10-5-11(7-13(6-10)16-3)12-8-14-15(2)9-12/h5-9H,4H2,1-3H3
InChIKeyFQMGKCLRKWEXDJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.66
Rot. Bonds3

About 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole

4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole (PubChem CID 170591109) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
PubChem CID170591109
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
SMILESCCc1cc(OC)cc(-c2cnn(C)c2)c1
InChIInChI=1S/C13H16N2O/c1-4-10-5-11(7-13(6-10)16-3)12-8-14-15(2)9-12/h5-9H,4H2,1-3H3
InChIKeyFQMGKCLRKWEXDJ-UHFFFAOYSA-N
XLogP2.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
CID 170995038
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995040
6-(3-ethyl-5-methoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine
CID 90264890
3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 11978219
[3-(1-methylpyrazol-4-yl)-5-nitrophenyl]methanol
CID 59325579
3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol
CID 175836404
2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995438
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
ethane;4-ethyl-1-methylpyrazole
CID 143829284
5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117369791
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
CID 170995437

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole (CID 170591109) is 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole is CCc1cc(OC)cc(-c2cnn(C)c2)c1.
What is the InChIKey of 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole?
The InChIKey is FQMGKCLRKWEXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-10-5-11(7-13(6-10)16-3)12-8-14-15(2)9-12/h5-9H,4H2,1-3H3.
What are the key properties of 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole?
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 170591109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).