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

C20H25N5 — CID 122193825

IUPAC2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2CCCCN2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C20H25N5/c1-14-12-18(22-13-17-10-6-7-11-21-17)25-20(23-14)19(15(2)24-25)16-8-4-3-5-9-16/h3-5,8-9,12,17,21-22H,6-7,10-11,13H2,1-2H3
InChIKeyYQQDXYOYILTNOI-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.57
Rot. Bonds4

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

2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122193825) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122193825
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2CCCCN2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C20H25N5/c1-14-12-18(22-13-17-10-6-7-11-21-17)25-20(23-14)19(15(2)24-25)16-8-4-3-5-9-16/h3-5,8-9,12,17,21-22H,6-7,10-11,13H2,1-2H3
InChIKeyYQQDXYOYILTNOI-UHFFFAOYSA-N
XLogP3.57
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 122193825) is 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC2CCCCN2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YQQDXYOYILTNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14-12-18(22-13-17-10-6-7-11-21-17)25-20(23-14)19(15(2)24-25)16-8-4-3-5-9-16/h3-5,8-9,12,17,21-22H,6-7,10-11,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 335.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-N-(piperidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122193825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).