methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate

C16H20N2O2 — CID 152766638

IUPACmethyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate
SMILESCCc1nn(C(C)c2ccccc2)c(C)c1C(=O)OC
InChIInChI=1S/C16H20N2O2/c1-5-14-15(16(19)20-4)12(3)18(17-14)11(2)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3
InChIKeyRSTLUIJRTIPVRB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.15
Rot. Bonds4

About methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate

methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate (PubChem CID 152766638) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate
PubChem CID152766638
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namemethyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate
SMILESCCc1nn(C(C)c2ccccc2)c(C)c1C(=O)OC
InChIInChI=1S/C16H20N2O2/c1-5-14-15(16(19)20-4)12(3)18(17-14)11(2)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3
InChIKeyRSTLUIJRTIPVRB-UHFFFAOYSA-N
XLogP3.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
CID 82702115
3-ethyl-1-[5-(3-ethyl-4-methoxycarbonyl-5-methylpyrazol-1-yl)naphthalen-1-yl]-5-methylpyrazole-4-carboxylic acid
CID 71184643
tetramethyl 1-(1-phenylethyl)pyrrole-2,3,4,5-tetracarboxylate
CID 102592899
5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 134508370
methyl 2,5-dimethyl-4-(1-phenylethyl)-1H-pyrrole-3-carboxylate
CID 70426890
[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206167
ethyl 1-(1-phenylethyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105215
dimethyl 5-methyl-1-(1-phenylethyl)pyrrole-2,4-dicarboxylate
CID 12027886
3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590685
methyl 2-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 139436740
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
CID 66016028
3-methylbutyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate
CID 146657007

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate (CID 152766638) is methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate is CCc1nn(C(C)c2ccccc2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate?
The InChIKey is RSTLUIJRTIPVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-14-15(16(19)20-4)12(3)18(17-14)11(2)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3.
What are the key properties of methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate?
methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 152766638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).