2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C17H14N4S — CID 46948497

IUPAC2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(-c2cc3nc(NCc4cccs4)ccn3n2)cc1
InChIInChI=1S/C17H14N4S/c1-2-5-13(6-3-1)15-11-17-19-16(8-9-21(17)20-15)18-12-14-7-4-10-22-14/h1-11H,12H2,(H,18,19)
InChIKeyGGOPDLKUVNLZTF-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.07
Rot. Bonds4

About 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46948497) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46948497
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(-c2cc3nc(NCc4cccs4)ccn3n2)cc1
InChIInChI=1S/C17H14N4S/c1-2-5-13(6-3-1)15-11-17-19-16(8-9-21(17)20-15)18-12-14-7-4-10-22-14/h1-11H,12H2,(H,18,19)
InChIKeyGGOPDLKUVNLZTF-UHFFFAOYSA-N
XLogP4.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
US10100058, Example 105
CID 134540034
1-phenyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 611207
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 46948497) is 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(-c2cc3nc(NCc4cccs4)ccn3n2)cc1.
What is the InChIKey of 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is GGOPDLKUVNLZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-5-13(6-3-1)15-11-17-19-16(8-9-21(17)20-15)18-12-14-7-4-10-22-14/h1-11H,12H2,(H,18,19).
What are the key properties of 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 306.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46948497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).