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

C18H28N6OS — CID 56902280

IUPAC2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCCNC(=O)N1CCn2nc(CN(C)CCc3scnc3C)cc2C1
InChIInChI=1S/C18H28N6OS/c1-4-6-19-18(25)23-8-9-24-16(12-23)10-15(21-24)11-22(3)7-5-17-14(2)20-13-26-17/h10,13H,4-9,11-12H2,1-3H3,(H,19,25)
InChIKeyUTPOYFCQQAEYFA-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.26
Rot. Bonds7

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

2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 56902280) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID56902280
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCCNC(=O)N1CCn2nc(CN(C)CCc3scnc3C)cc2C1
InChIInChI=1S/C18H28N6OS/c1-4-6-19-18(25)23-8-9-24-16(12-23)10-15(21-24)11-22(3)7-5-17-14(2)20-13-26-17/h10,13H,4-9,11-12H2,1-3H3,(H,19,25)
InChIKeyUTPOYFCQQAEYFA-UHFFFAOYSA-N
XLogP2.26
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 56902280) is 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CCCNC(=O)N1CCn2nc(CN(C)CCc3scnc3C)cc2C1.
What is the InChIKey of 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is UTPOYFCQQAEYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-4-6-19-18(25)23-8-9-24-16(12-23)10-15(21-24)11-22(3)7-5-17-14(2)20-13-26-17/h10,13H,4-9,11-12H2,1-3H3,(H,19,25).
What are the key properties of 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N-propyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 56902280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).