4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide

C16H21N5O2S — CID 118773964

IUPAC4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2
InChIInChI=1S/C16H21N5O2S/c1-10(2)16(23)20-4-5-21-13(8-20)6-12(19-21)7-17-15(22)14-11(3)18-9-24-14/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,22)
InChIKeyBWHBWUXMMUPMQP-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.58
Rot. Bonds4

About 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 118773964) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID118773964
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2
InChIInChI=1S/C16H21N5O2S/c1-10(2)16(23)20-4-5-21-13(8-20)6-12(19-21)7-17-15(22)14-11(3)18-9-24-14/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,22)
InChIKeyBWHBWUXMMUPMQP-UHFFFAOYSA-N
XLogP1.58
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide (CID 118773964) is 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2.
What is the InChIKey of 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BWHBWUXMMUPMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(2)16(23)20-4-5-21-13(8-20)6-12(19-21)7-17-15(22)14-11(3)18-9-24-14/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,22).
What are the key properties of 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118773964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).