(6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C13H17N5O4 — CID 121484618

IUPAC(6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESC[C@H]1Cn2ncc(N3CC(C(N)=O)CC3=O)c2CN1C(=O)O
InChIInChI=1S/C13H17N5O4/c1-7-4-18-10(6-16(7)13(21)22)9(3-15-18)17-5-8(12(14)20)2-11(17)19/h3,7-8H,2,4-6H2,1H3,(H2,14,20)(H,21,22)/t7-,8?/m0/s1
InChIKeyVKPDRIDLQXKYHM-JAMMHHFISA-N
MW307.31 g/mol
LogP-0.40
Rot. Bonds2

About (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

(6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 121484618) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name(6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID121484618
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name(6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESC[C@H]1Cn2ncc(N3CC(C(N)=O)CC3=O)c2CN1C(=O)O
InChIInChI=1S/C13H17N5O4/c1-7-4-18-10(6-16(7)13(21)22)9(3-15-18)17-5-8(12(14)20)2-11(17)19/h3,7-8H,2,4-6H2,1H3,(H2,14,20)(H,21,22)/t7-,8?/m0/s1
InChIKeyVKPDRIDLQXKYHM-JAMMHHFISA-N
XLogP-0.40
TPSA121.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 121484618) is (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is C[C@H]1Cn2ncc(N3CC(C(N)=O)CC3=O)c2CN1C(=O)O.
What is the InChIKey of (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is VKPDRIDLQXKYHM-JAMMHHFISA-N. The full InChI is InChI=1S/C13H17N5O4/c1-7-4-18-10(6-16(7)13(21)22)9(3-15-18)17-5-8(12(14)20)2-11(17)19/h3,7-8H,2,4-6H2,1H3,(H2,14,20)(H,21,22)/t7-,8?/m0/s1.
What are the key properties of (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
(6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 121484618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).