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

C15H20N6O2S — CID 70732355

IUPACN-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C15H20N6O2S/c1-10-13(24-9-17-10)14(22)16-7-11-6-12-8-20(15(23)19(2)3)4-5-21(12)18-11/h6,9H,4-5,7-8H2,1-3H3,(H,16,22)
InChIKeyFWSPDXDYQMHPCX-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.08
Rot. Bonds3

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

N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 70732355) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID70732355
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C15H20N6O2S/c1-10-13(24-9-17-10)14(22)16-7-11-6-12-8-20(15(23)19(2)3)4-5-21(12)18-11/h6,9H,4-5,7-8H2,1-3H3,(H,16,22)
InChIKeyFWSPDXDYQMHPCX-UHFFFAOYSA-N
XLogP1.08
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 70732355) is N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FWSPDXDYQMHPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-10-13(24-9-17-10)14(22)16-7-11-6-12-8-20(15(23)19(2)3)4-5-21(12)18-11/h6,9H,4-5,7-8H2,1-3H3,(H,16,22).
What are the key properties of N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70732355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).