ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate

C12H16N4O2 — CID 114203723

IUPACethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cnn(C(C)C)c2)cn1
InChIInChI=1S/C12H16N4O2/c1-4-18-12(17)11-7-15(8-13-11)10-5-14-16(6-10)9(2)3/h5-9H,4H2,1-3H3
InChIKeyRXFJYBGKMFBNDY-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.83
Rot. Bonds4

About ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate

ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate (PubChem CID 114203723) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
PubChem CID114203723
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cnn(C(C)C)c2)cn1
InChIInChI=1S/C12H16N4O2/c1-4-18-12(17)11-7-15(8-13-11)10-5-14-16(6-10)9(2)3/h5-9H,4H2,1-3H3
InChIKeyRXFJYBGKMFBNDY-UHFFFAOYSA-N
XLogP1.83
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate
CID 114203701
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
CID 11953753
ethyl 2-propan-2-yltriazole-4-carboxylate
CID 58356328
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
CID 88893252
CID 88893252
ethyl 1-(3-fluoro-4-methylphenyl)imidazole-4-carboxylate
CID 114203638
ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate
CID 166520574
ethyl 1-(4-bromo-3-fluorophenyl)imidazole-4-carboxylate
CID 114203737
ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate
CID 114203687
ethyl 1-[(2R)-1-fluoropropan-2-yl]imidazole-4-carboxylate
CID 155578659
ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
CID 15069644
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate (CID 114203723) is ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2cnn(C(C)C)c2)cn1.
What is the InChIKey of ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate?
The InChIKey is RXFJYBGKMFBNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-18-12(17)11-7-15(8-13-11)10-5-14-16(6-10)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate?
ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate has a molecular weight of 248.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate is sourced from PubChem (CID 114203723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).