5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F2N5O2 — CID 56944950

IUPAC5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C19H19F2N5O2/c20-13-3-1-2-12(8-13)16-9-14(21)11-25(16)17-4-6-26-18(24-17)15(10-23-26)19(28)22-5-7-27/h1-4,6,8,10,14,16,27H,5,7,9,11H2,(H,22,28)/t14-,16+/m0/s1
InChIKeyCUEHZIPHIXWGAW-GOEBONIOSA-N
MW387.39 g/mol
LogP1.88
Rot. Bonds5

About 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56944950) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56944950
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C19H19F2N5O2/c20-13-3-1-2-12(8-13)16-9-14(21)11-25(16)17-4-6-26-18(24-17)15(10-23-26)19(28)22-5-7-27/h1-4,6,8,10,14,16,27H,5,7,9,11H2,(H,22,28)/t14-,16+/m0/s1
InChIKeyCUEHZIPHIXWGAW-GOEBONIOSA-N
XLogP1.88
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 56943983
5-[(2R,4S)-2-(3-amino-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66695557
ethyl 5-[4-acetyloxy-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 77197170
N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 72672980
N-tert-butyl-5-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500241
methyl N-[5-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]carbamate
CID 56944663
ethyl 5-[4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 77197107
5-[4-fluoro-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123732955
5-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56943889
N-[4-(1-acetylpiperidin-4-yl)phenyl]-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166846282
N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127949
5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[[4-(2-hydroxyacetyl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168848927

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56944950) is 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCO)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nc12.
What is the InChIKey of 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CUEHZIPHIXWGAW-GOEBONIOSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c20-13-3-1-2-12(8-13)16-9-14(21)11-25(16)17-4-6-26-18(24-17)15(10-23-26)19(28)22-5-7-27/h1-4,6,8,10,14,16,27H,5,7,9,11H2,(H,22,28)/t14-,16+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56944950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).