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

C14H19N3O2 — CID 102604433

IUPACethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H19N3O2/c1-4-19-14(18)13-6-5-8-16(13)10-12-7-9-17(15-12)11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyUYVKVKRQJRNOTL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.49
Rot. Bonds5

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

ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate (PubChem CID 102604433) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
PubChem CID102604433
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H19N3O2/c1-4-19-14(18)13-6-5-8-16(13)10-12-7-9-17(15-12)11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyUYVKVKRQJRNOTL-UHFFFAOYSA-N
XLogP2.49
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate
CID 107044007
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107545
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103
ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]tetrazole-5-carboxylate
CID 79317861
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
ethyl 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 107344799
ethyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537102
ethyl 1-[(2,6-dichlorophenyl)methyl]pyrrole-2-carboxylate
CID 105422030
diethyl 2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanedioate
CID 103972554
ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate
CID 105421898
ethyl 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrole-2-carboxylate
CID 105422041

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate (CID 102604433) is ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1Cc1ccn(C(C)C)n1.
What is the InChIKey of ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The InChIKey is UYVKVKRQJRNOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-14(18)13-6-5-8-16(13)10-12-7-9-17(15-12)11(2)3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate is sourced from PubChem (CID 102604433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).