3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C14H16N4O3 — CID 119256608

IUPAC3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccn2ncc(C(=O)N3CCC(C)(C(=O)O)C3)c2n1
InChIInChI=1S/C14H16N4O3/c1-9-3-5-18-11(16-9)10(7-15-18)12(19)17-6-4-14(2,8-17)13(20)21/h3,5,7H,4,6,8H2,1-2H3,(H,20,21)
InChIKeyGYDPOEZPJCZXJC-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.97
Rot. Bonds2

About 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119256608) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119256608
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccn2ncc(C(=O)N3CCC(C)(C(=O)O)C3)c2n1
InChIInChI=1S/C14H16N4O3/c1-9-3-5-18-11(16-9)10(7-15-18)12(19)17-6-4-14(2,8-17)13(20)21/h3,5,7H,4,6,8H2,1-2H3,(H,20,21)
InChIKeyGYDPOEZPJCZXJC-UHFFFAOYSA-N
XLogP0.97
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 120816495
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499
1-(2-bromo-5-methylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 81110258
3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 103116765
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146235
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 132970117
3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529180
(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124696891
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514397

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 119256608) is 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1ccn2ncc(C(=O)N3CCC(C)(C(=O)O)C3)c2n1.
What is the InChIKey of 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GYDPOEZPJCZXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-3-5-18-11(16-9)10(7-15-18)12(19)17-6-4-14(2,8-17)13(20)21/h3,5,7H,4,6,8H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).