ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate

C12H15N3O2 — CID 105422066

IUPACethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1Cc1ccn(C)n1
InChIInChI=1S/C12H15N3O2/c1-3-17-12(16)11-5-4-7-15(11)9-10-6-8-14(2)13-10/h4-8H,3,9H2,1-2H3
InChIKeyWDVJSLSMRCRUAA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.45
Rot. Bonds4

About ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate

ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate (PubChem CID 105422066) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
PubChem CID105422066
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1Cc1ccn(C)n1
InChIInChI=1S/C12H15N3O2/c1-3-17-12(16)11-5-4-7-15(11)9-10-6-8-14(2)13-10/h4-8H,3,9H2,1-2H3
InChIKeyWDVJSLSMRCRUAA-UHFFFAOYSA-N
XLogP1.45
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 102604433
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate
CID 107044007
ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82874465
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054
ethyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537102
ethyl 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrole-2-carboxylate
CID 105421889
ethyl 1-[(2,6-dichlorophenyl)methyl]pyrrole-2-carboxylate
CID 105422030
ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 90351376
ethyl 1-[(5-methylfuran-2-yl)methyl]pyrrole-2-carboxylate
CID 105421966
ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
CID 105422133
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate (CID 105422066) is ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1Cc1ccn(C)n1.
What is the InChIKey of ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The InChIKey is WDVJSLSMRCRUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-17-12(16)11-5-4-7-15(11)9-10-6-8-14(2)13-10/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate is sourced from PubChem (CID 105422066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).