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

C8H13N3O2 — CID 70386750

IUPACethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(N)c1C
InChIInChI=1S/C8H13N3O2/c1-4-13-8(12)7-5(2)10-11(9)6(7)3/h4,9H2,1-3H3
InChIKeyWXOUTOVFHVLUKA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds2

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

ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 70386750) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
PubChem CID70386750
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(N)c1C
InChIInChI=1S/C8H13N3O2/c1-4-13-8(12)7-5(2)10-11(9)6(7)3/h4,9H2,1-3H3
InChIKeyWXOUTOVFHVLUKA-UHFFFAOYSA-N
XLogP0.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-carbamimidoyl-3,5-dimethylpyrazole-4-carboxylate;hydrochloride
CID 19382721
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
ethyl 3,5-dimethyl-1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazole-4-carboxylate
CID 99975546
diethyl 1-[(1-aminocyclopropyl)methyl]-3-methylpyrazole-4,5-dicarboxylate
CID 144845659
ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
ethyl 3,5-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrazole-4-carboxylate
CID 139414238
ethyl 1-[(2-hydroxyphenyl)methylamino]-3,5-dimethylpyrazole-4-carboxylate
CID 20590616
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
CID 15307848

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate (CID 70386750) is ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(N)c1C.
What is the InChIKey of ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is WXOUTOVFHVLUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-13-8(12)7-5(2)10-11(9)6(7)3/h4,9H2,1-3H3.
What are the key properties of ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate?
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 70386750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).