5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C15H18N4O3S — CID 50960941

IUPAC5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1nc(C(C)C)sc1C(=O)N1CCn2nc(C(=O)O)cc2C1
InChIInChI=1S/C15H18N4O3S/c1-8(2)13-16-9(3)12(23-13)14(20)18-4-5-19-10(7-18)6-11(17-19)15(21)22/h6,8H,4-5,7H2,1-3H3,(H,21,22)
InChIKeyOWGWLLQXCNEMPW-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.13
Rot. Bonds3

About 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 50960941) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID50960941
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1nc(C(C)C)sc1C(=O)N1CCn2nc(C(=O)O)cc2C1
InChIInChI=1S/C15H18N4O3S/c1-8(2)13-16-9(3)12(23-13)14(20)18-4-5-19-10(7-18)6-11(17-19)15(21)22/h6,8H,4-5,7H2,1-3H3,(H,21,22)
InChIKeyOWGWLLQXCNEMPW-UHFFFAOYSA-N
XLogP2.13
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 50960941) is 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is Cc1nc(C(C)C)sc1C(=O)N1CCn2nc(C(=O)O)cc2C1.
What is the InChIKey of 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is OWGWLLQXCNEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-8(2)13-16-9(3)12(23-13)14(20)18-4-5-19-10(7-18)6-11(17-19)15(21)22/h6,8H,4-5,7H2,1-3H3,(H,21,22).
What are the key properties of 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 50960941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).