[(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

C17H17FN4O — CID 126469450

IUPAC[(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1ccnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)15-10-20-22-16(7-8-19-17(15)22)21-9-1-2-14(21)11-23/h3-8,10,14,23H,1-2,9,11H2/t14-/m0/s1
InChIKeyXXFQSJUFRPTLOZ-AWEZNQCLSA-N
MW312.35 g/mol
LogP2.50
Rot. Bonds3

About [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (PubChem CID 126469450) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
PubChem CID126469450
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name[(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1ccnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)15-10-20-22-16(7-8-19-17(15)22)21-9-1-2-14(21)11-23/h3-8,10,14,23H,1-2,9,11H2/t14-/m0/s1
InChIKeyXXFQSJUFRPTLOZ-AWEZNQCLSA-N
XLogP2.50
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol
CID 118329676
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 156138327
[(3S)-3-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol
CID 155555568
Trk-IN-21
CID 164886651
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168268870
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 168269263
3-[1-(difluoromethyl)pyrazol-4-yl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 168269978
2-[4-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
CID 168278293
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168286829
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168296228
2-[[2-Ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
CID 3231332
(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
CID 25124680

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (CID 126469450) is [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1ccnc2c(-c3ccc(F)cc3)cnn12.
What is the InChIKey of [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The InChIKey is XXFQSJUFRPTLOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)15-10-20-22-16(7-8-19-17(15)22)21-9-1-2-14(21)11-23/h3-8,10,14,23H,1-2,9,11H2/t14-/m0/s1.
What are the key properties of [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol has a molecular weight of 312.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 126469450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).