(3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid

C13H17N5O2 — CID 129072610

IUPAC(3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid
SMILESCc1cnn2c(N3CCN(C(=O)O)C[C@@H]3C)ccnc12
InChIInChI=1S/C13H17N5O2/c1-9-7-15-18-11(3-4-14-12(9)18)17-6-5-16(13(19)20)8-10(17)2/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyXPKWCADVNQKXPV-JTQLQIEISA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds1

About (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid

(3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid (PubChem CID 129072610) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid
PubChem CID129072610
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid
SMILESCc1cnn2c(N3CCN(C(=O)O)C[C@@H]3C)ccnc12
InChIInChI=1S/C13H17N5O2/c1-9-7-15-18-11(3-4-14-12(9)18)17-6-5-16(13(19)20)8-10(17)2/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyXPKWCADVNQKXPV-JTQLQIEISA-N
XLogP1.23
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid?
The IUPAC name of (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid (CID 129072610) is (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid?
The canonical SMILES for (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid is Cc1cnn2c(N3CCN(C(=O)O)C[C@@H]3C)ccnc12.
What is the InChIKey of (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid?
The InChIKey is XPKWCADVNQKXPV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-7-15-18-11(3-4-14-12(9)18)17-6-5-16(13(19)20)8-10(17)2/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid?
(3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 129072610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).