1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea

C15H23N7OS — CID 138026009

IUPAC1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea
SMILESCN(C)Cc1csc(CNC(=O)Nc2cc3n(n2)CCN(C)C3)n1
InChIInChI=1S/C15H23N7OS/c1-20(2)8-11-10-24-14(17-11)7-16-15(23)18-13-6-12-9-21(3)4-5-22(12)19-13/h6,10H,4-5,7-9H2,1-3H3,(H2,16,18,19,23)
InChIKeyZVNDOIUFRCVQDM-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.17
Rot. Bonds5

About 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea

1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea (PubChem CID 138026009) has the molecular formula C15H23N7OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea
PubChem CID138026009
Molecular FormulaC15H23N7OS
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea
SMILESCN(C)Cc1csc(CNC(=O)Nc2cc3n(n2)CCN(C)C3)n1
InChIInChI=1S/C15H23N7OS/c1-20(2)8-11-10-24-14(17-11)7-16-15(23)18-13-6-12-9-21(3)4-5-22(12)19-13/h6,10H,4-5,7-9H2,1-3H3,(H2,16,18,19,23)
InChIKeyZVNDOIUFRCVQDM-UHFFFAOYSA-N
XLogP1.17
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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2-(2,5-Dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-4-methyl-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea (CID 138026009) is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea is CN(C)Cc1csc(CNC(=O)Nc2cc3n(n2)CCN(C)C3)n1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea?
The InChIKey is ZVNDOIUFRCVQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7OS/c1-20(2)8-11-10-24-14(17-11)7-16-15(23)18-13-6-12-9-21(3)4-5-22(12)19-13/h6,10H,4-5,7-9H2,1-3H3,(H2,16,18,19,23).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea?
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea has a molecular weight of 349.46 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea is sourced from PubChem (CID 138026009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).