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

C16H16FN5 — CID 67329531

IUPAC5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C16H16FN5/c17-12-4-1-3-11(9-12)14-5-2-7-21(14)15-6-8-22-16(20-15)13(18)10-19-22/h1,3-4,6,8-10,14H,2,5,7,18H2/t14-/m1/s1
InChIKeyGBWVWAPFLHOIKT-CQSZACIVSA-N
MW297.34 g/mol
LogP2.79
Rot. Bonds2

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

5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 67329531) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID67329531
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C16H16FN5/c17-12-4-1-3-11(9-12)14-5-2-7-21(14)15-6-8-22-16(20-15)13(18)10-19-22/h1,3-4,6,8-10,14H,2,5,7,18H2/t14-/m1/s1
InChIKeyGBWVWAPFLHOIKT-CQSZACIVSA-N
XLogP2.79
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 140870054
5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 67332033
N-[5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide
CID 67330159
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyridine-3-carboxamide
CID 141332067
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-3-carboxamide
CID 154027724
6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146388088
4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 141332070
5-[4,4-dideuterio-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 156673856
2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 146380893
N'-acetyl-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121395159
(2E)-2-[[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]butanoic acid
CID 121394932

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine (CID 67329531) is 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine is Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12.
What is the InChIKey of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is GBWVWAPFLHOIKT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FN5/c17-12-4-1-3-11(9-12)14-5-2-7-21(14)15-6-8-22-16(20-15)13(18)10-19-22/h1,3-4,6,8-10,14H,2,5,7,18H2/t14-/m1/s1.
What are the key properties of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine?
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 297.34 g/mol, XLogP of 2.79, 2 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]pyrimidin-3-amine is sourced from PubChem (CID 67329531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).