3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole

C13H16N2 — CID 70791517

IUPAC3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
SMILESCCc1nn(C)cc1-c1ccc(C)cc1
InChIInChI=1S/C13H16N2/c1-4-13-12(9-15(3)14-13)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3
InChIKeyWYVDMVDMRPUDKJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.96
Rot. Bonds2

About 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole

3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole (PubChem CID 70791517) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
PubChem CID70791517
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
SMILESCCc1nn(C)cc1-c1ccc(C)cc1
InChIInChI=1S/C13H16N2/c1-4-13-12(9-15(3)14-13)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3
InChIKeyWYVDMVDMRPUDKJ-UHFFFAOYSA-N
XLogP2.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline
CID 66008901
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline
CID 66008493
2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 105423796
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 58157464
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol
CID 69207008
6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698590
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzoic acid
CID 66007874
3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
CID 154672779
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 102810659
1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine
CID 66009726
[4-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methanamine
CID 66008902

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole?
The IUPAC name of 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole (CID 70791517) is 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole.
What is the SMILES notation for 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole?
The canonical SMILES for 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole is CCc1nn(C)cc1-c1ccc(C)cc1.
What is the InChIKey of 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole?
The InChIKey is WYVDMVDMRPUDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-13-12(9-15(3)14-13)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole?
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole has a molecular weight of 200.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole is sourced from PubChem (CID 70791517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).