2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H18N4S — CID 122193204

IUPAC2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccs2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H18N4S/c1-13-11-17(20-12-16-9-6-10-24-16)23-19(21-13)18(14(2)22-23)15-7-4-3-5-8-15/h3-11,20H,12H2,1-2H3
InChIKeyZSXPYHNYXGIGGL-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.69
Rot. Bonds4

About 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122193204) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122193204
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccs2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H18N4S/c1-13-11-17(20-12-16-9-6-10-24-16)23-19(21-13)18(14(2)22-23)15-7-4-3-5-8-15/h3-11,20H,12H2,1-2H3
InChIKeyZSXPYHNYXGIGGL-UHFFFAOYSA-N
XLogP4.69
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 122193204) is 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cccs2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZSXPYHNYXGIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-13-11-17(20-12-16-9-6-10-24-16)23-19(21-13)18(14(2)22-23)15-7-4-3-5-8-15/h3-11,20H,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 334.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122193204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).