1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea

C15H17N5OS — CID 138026080

IUPAC1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
SMILESCc1cc2nccc(NC(=O)NC(C)c3ccc(C)s3)n2n1
InChIInChI=1S/C15H17N5OS/c1-9-8-14-16-7-6-13(20(14)19-9)18-15(21)17-11(3)12-5-4-10(2)22-12/h4-8,11H,1-3H3,(H2,17,18,21)
InChIKeyLRYKMMJGQUUQJS-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.29
Rot. Bonds3

About 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea

1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 138026080) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID138026080
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
SMILESCc1cc2nccc(NC(=O)NC(C)c3ccc(C)s3)n2n1
InChIInChI=1S/C15H17N5OS/c1-9-8-14-16-7-6-13(20(14)19-9)18-15(21)17-11(3)12-5-4-10(2)22-12/h4-8,11H,1-3H3,(H2,17,18,21)
InChIKeyLRYKMMJGQUUQJS-UHFFFAOYSA-N
XLogP3.29
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea (CID 138026080) is 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea is Cc1cc2nccc(NC(=O)NC(C)c3ccc(C)s3)n2n1.
What is the InChIKey of 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is LRYKMMJGQUUQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9-8-14-16-7-6-13(20(14)19-9)18-15(21)17-11(3)12-5-4-10(2)22-12/h4-8,11H,1-3H3,(H2,17,18,21).
What are the key properties of 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea?
1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 315.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 138026080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).