5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16FN5O — CID 56944947

IUPAC5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C17H16FN5O/c18-12-4-1-3-11(9-12)14-5-2-7-22(14)15-6-8-23-17(21-15)13(10-20-23)16(19)24/h1,3-4,6,8-10,14H,2,5,7H2,(H2,19,24)/t14-/m1/s1
InChIKeyLZJSAQIUAQDIAJ-CQSZACIVSA-N
MW325.35 g/mol
LogP2.31
Rot. Bonds3

About 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56944947) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56944947
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C17H16FN5O/c18-12-4-1-3-11(9-12)14-5-2-7-22(14)15-6-8-23-17(21-15)13(10-20-23)16(19)24/h1,3-4,6,8-10,14H,2,5,7H2,(H2,19,24)/t14-/m1/s1
InChIKeyLZJSAQIUAQDIAJ-CQSZACIVSA-N
XLogP2.31
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56944947) is 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12.
What is the InChIKey of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LZJSAQIUAQDIAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-12-4-1-3-11(9-12)14-5-2-7-22(14)15-6-8-23-17(21-15)13(10-20-23)16(19)24/h1,3-4,6,8-10,14H,2,5,7H2,(H2,19,24)/t14-/m1/s1.
What are the key properties of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56944947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).