5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C15H21N5OS — CID 131644489

IUPAC5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCc1ncsc1CN1Cc2ccnn2C(C(=O)NC(C)C)C1
InChIInChI=1S/C15H21N5OS/c1-10(2)18-15(21)13-7-19(6-12-4-5-17-20(12)13)8-14-11(3)16-9-22-14/h4-5,9-10,13H,6-8H2,1-3H3,(H,18,21)
InChIKeyHAGMXURWZUMLGM-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.73
Rot. Bonds4

About 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131644489) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131644489
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCc1ncsc1CN1Cc2ccnn2C(C(=O)NC(C)C)C1
InChIInChI=1S/C15H21N5OS/c1-10(2)18-15(21)13-7-19(6-12-4-5-17-20(12)13)8-14-11(3)16-9-22-14/h4-5,9-10,13H,6-8H2,1-3H3,(H,18,21)
InChIKeyHAGMXURWZUMLGM-UHFFFAOYSA-N
XLogP1.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131644489) is 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is Cc1ncsc1CN1Cc2ccnn2C(C(=O)NC(C)C)C1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is HAGMXURWZUMLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10(2)18-15(21)13-7-19(6-12-4-5-17-20(12)13)8-14-11(3)16-9-22-14/h4-5,9-10,13H,6-8H2,1-3H3,(H,18,21).
What are the key properties of 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131644489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).