(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C14H16N4O3 — CID 124694636

IUPAC(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1nn2cccnc2c1C(=O)N1CC[C@@](C)(C(=O)O)C1
InChIInChI=1S/C14H16N4O3/c1-9-10(11-15-5-3-6-18(11)16-9)12(19)17-7-4-14(2,8-17)13(20)21/h3,5-6H,4,7-8H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyVZNCEIRTFWMIIM-CQSZACIVSA-N
MW288.31 g/mol
LogP0.97
Rot. Bonds2

About (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124694636) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124694636
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1nn2cccnc2c1C(=O)N1CC[C@@](C)(C(=O)O)C1
InChIInChI=1S/C14H16N4O3/c1-9-10(11-15-5-3-6-18(11)16-9)12(19)17-7-4-14(2,8-17)13(20)21/h3,5-6H,4,7-8H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyVZNCEIRTFWMIIM-CQSZACIVSA-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

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Related Compounds

(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87009980
(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124696891
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824146
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824640
(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
CID 55967327
3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146321
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 87044984
1-[3-fluoro-4-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87045018
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55820590
2-(4-chlorophenoxy)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 55888174

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 124694636) is (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1nn2cccnc2c1C(=O)N1CC[C@@](C)(C(=O)O)C1.
What is the InChIKey of (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VZNCEIRTFWMIIM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-10(11-15-5-3-6-18(11)16-9)12(19)17-7-4-14(2,8-17)13(20)21/h3,5-6H,4,7-8H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-3-methyl-1-(2-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 (3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124694636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).