methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate

C9H14N2O2 — CID 91546369

IUPACmethyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OC)c(C)nn1C
InChIInChI=1S/C9H14N2O2/c1-5-7-8(9(12)13-4)6(2)10-11(7)3/h5H2,1-4H3
InChIKeyOEJKGAZMKJDGSL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.08
Rot. Bonds2

About methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate

methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate (PubChem CID 91546369) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate
PubChem CID91546369
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namemethyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OC)c(C)nn1C
InChIInChI=1S/C9H14N2O2/c1-5-7-8(9(12)13-4)6(2)10-11(7)3/h5H2,1-4H3
InChIKeyOEJKGAZMKJDGSL-UHFFFAOYSA-N
XLogP1.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid
CID 736514
ethyl 5-ethyl-1-methyl-1H-pyrazole-4-carboxylate
CID 14003890
Ethyl 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 71770121
1-Methyl-3-(difluoromethyl)-5-(pentafluoroethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CID 71770125
1-Methyl-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CID 89733690
ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate
CID 4421459
ethyl 5-(bromomethyl)-1,3-dimethyl-1H-pyrazole-4-carboxylate
CID 13285467
3,5-diethyl-1-methyl-1H-pyrazole-4-carboxylic acid
CID 42669878
methyl 2-(chloromethyl)-4H,5H,6H-pyrrolo(1,2-b)pyrazole-3-carboxylate
CID 75466409
Ethyl 3-ethyl-1-methylpyrazole-4-carboxylate
CID 14003894
Ethyl 1-methyl-3-propyl-1H-pyrazole-4-carboxylate
CID 14003895
Ethyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 19754722

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate (CID 91546369) is methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate is CCc1c(C(=O)OC)c(C)nn1C.
What is the InChIKey of methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate?
The InChIKey is OEJKGAZMKJDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-7-8(9(12)13-4)6(2)10-11(7)3/h5H2,1-4H3.
What are the key properties of methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate?
methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1,3-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 91546369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).