1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C13H13N3O3 — CID 58133877

IUPAC1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(OC(=O)c1cc2occc2[nH]1)n1cccn1
InChIInChI=1S/C13H13N3O3/c1-2-12(16-6-3-5-14-16)19-13(17)10-8-11-9(15-10)4-7-18-11/h3-8,12,15H,2H2,1H3
InChIKeyNEFMPHBNBQNDQN-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.72
Rot. Bonds4

About 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate

1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 58133877) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID58133877
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(OC(=O)c1cc2occc2[nH]1)n1cccn1
InChIInChI=1S/C13H13N3O3/c1-2-12(16-6-3-5-14-16)19-13(17)10-8-11-9(15-10)4-7-18-11/h3-8,12,15H,2H2,1H3
InChIKeyNEFMPHBNBQNDQN-UHFFFAOYSA-N
XLogP2.72
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 58133877) is 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CCC(OC(=O)c1cc2occc2[nH]1)n1cccn1.
What is the InChIKey of 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NEFMPHBNBQNDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-2-12(16-6-3-5-14-16)19-13(17)10-8-11-9(15-10)4-7-18-11/h3-8,12,15H,2H2,1H3.
What are the key properties of 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 58133877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).