1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

C15H17N5O2S — CID 110007261

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESCC(O)(CNC(=O)NCc1ccnc2ccnn12)c1ccsc1
InChIInChI=1S/C15H17N5O2S/c1-15(22,11-4-7-23-9-11)10-18-14(21)17-8-12-2-5-16-13-3-6-19-20(12)13/h2-7,9,22H,8,10H2,1H3,(H2,17,18,21)
InChIKeyCJEROZMQSQMOGL-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.50
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (PubChem CID 110007261) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
PubChem CID110007261
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESCC(O)(CNC(=O)NCc1ccnc2ccnn12)c1ccsc1
InChIInChI=1S/C15H17N5O2S/c1-15(22,11-4-7-23-9-11)10-18-14(21)17-8-12-2-5-16-13-3-6-19-20(12)13/h2-7,9,22H,8,10H2,1H3,(H2,17,18,21)
InChIKeyCJEROZMQSQMOGL-UHFFFAOYSA-N
XLogP1.50
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013074
1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013105
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111440845
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(thiophen-3-ylmethyl)urea
CID 111458011
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
CID 126773459
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111976782
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 111450384

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (CID 110007261) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is CC(O)(CNC(=O)NCc1ccnc2ccnn12)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The InChIKey is CJEROZMQSQMOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-15(22,11-4-7-23-9-11)10-18-14(21)17-8-12-2-5-16-13-3-6-19-20(12)13/h2-7,9,22H,8,10H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea has a molecular weight of 331.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is sourced from PubChem (CID 110007261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).