methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate

C19H17FN4O3 — CID 16674220

IUPACmethyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O3/c1-27-19(26)16-11-23(10-15(16)12-3-5-13(20)6-4-12)18(25)14-9-22-24-8-2-7-21-17(14)24/h2-9,15-16H,10-11H2,1H3/t15-,16+/m1/s1
InChIKeyHASQNSHQUZUZJV-CVEARBPZSA-N
MW368.37 g/mol
LogP1.90
Rot. Bonds3

About methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate

methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 16674220) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate
PubChem CID16674220
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Namemethyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O3/c1-27-19(26)16-11-23(10-15(16)12-3-5-13(20)6-4-12)18(25)14-9-22-24-8-2-7-21-17(14)24/h2-9,15-16H,10-11H2,1H3/t15-,16+/m1/s1
InChIKeyHASQNSHQUZUZJV-CVEARBPZSA-N
XLogP1.90
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate with MolForge

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Related Compounds

(R)-N-tert-butyl-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49869798
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49870073
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500224
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86766706
Ethyl 1-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-3-piperidinecarboxylate
CID 2974735
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49869940
(R)-1-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid
CID 49870068
(R)-5-(2-(3-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56944947
1-[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-4-carboxylic acid
CID 66847885
N-tert-butyl-5-((2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851763
(R)-5-(5-(2,5-difluorophenyl)-2,2-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66883868
US9782415, Example 12
CID 66900306

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate (CID 16674220) is methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate is COC(=O)[C@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is HASQNSHQUZUZJV-CVEARBPZSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-27-19(26)16-11-23(10-15(16)12-3-5-13(20)6-4-12)18(25)14-9-22-24-8-2-7-21-17(14)24/h2-9,15-16H,10-11H2,1H3/t15-,16+/m1/s1.
What are the key properties of methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate?
methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 368.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 16674220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).