(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C16H20N4O3 — CID 124696891

IUPAC(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)N3CC[C@@](C)(C(=O)O)C3)c2n1
InChIInChI=1S/C16H20N4O3/c1-9-7-10(2)20-13(17-9)12(11(3)18-20)14(21)19-6-5-16(4,8-19)15(22)23/h7H,5-6,8H2,1-4H3,(H,22,23)/t16-/m1/s1
InChIKeyKBMKEOPXPCSDRC-MRXNPFEDSA-N
MW316.36 g/mol
LogP1.59
Rot. Bonds2

About (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124696891) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124696891
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)N3CC[C@@](C)(C(=O)O)C3)c2n1
InChIInChI=1S/C16H20N4O3/c1-9-7-10(2)20-13(17-9)12(11(3)18-20)14(21)19-6-5-16(4,8-19)15(22)23/h7H,5-6,8H2,1-4H3,(H,22,23)/t16-/m1/s1
InChIKeyKBMKEOPXPCSDRC-MRXNPFEDSA-N
XLogP1.59
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 120808275
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone;hydrochloride
CID 120808274
(4-aminopiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119375224
(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124694636
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 155501888
(3-aminopiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119379880
9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56918533
[(2R,6R)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 100645502
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119485616
3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146664
4-[1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72904029
3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146321

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 124696891) is (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cc(C)n2nc(C)c(C(=O)N3CC[C@@](C)(C(=O)O)C3)c2n1.
What is the InChIKey of (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KBMKEOPXPCSDRC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-7-10(2)20-13(17-9)12(11(3)18-20)14(21)19-6-5-16(4,8-19)15(22)23/h7H,5-6,8H2,1-4H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.59, 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-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124696891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).