N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide

C19H20FN5O — CID 56903213

IUPACN-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C19H20FN5O/c1-2-21-19(26)13-8-10-24(12-13)18-11-16(14-5-3-4-6-15(14)20)23-17-7-9-22-25(17)18/h3-7,9,11,13H,2,8,10,12H2,1H3,(H,21,26)
InChIKeyIMNIYFOAIBWBMQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.50
Rot. Bonds4

About N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide

N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide (PubChem CID 56903213) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide
PubChem CID56903213
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC NameN-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C19H20FN5O/c1-2-21-19(26)13-8-10-24(12-13)18-11-16(14-5-3-4-6-15(14)20)23-17-7-9-22-25(17)18/h3-7,9,11,13H,2,8,10,12H2,1H3,(H,21,26)
InChIKeyIMNIYFOAIBWBMQ-UHFFFAOYSA-N
XLogP2.50
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide (CID 56903213) is N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2cc(-c3ccccc3F)nc3ccnn23)C1.
What is the InChIKey of N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide?
The InChIKey is IMNIYFOAIBWBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-2-21-19(26)13-8-10-24(12-13)18-11-16(14-5-3-4-6-15(14)20)23-17-7-9-22-25(17)18/h3-7,9,11,13H,2,8,10,12H2,1H3,(H,21,26).
What are the key properties of N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide?
N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56903213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).