2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C25H28N8 — CID 167214470

IUPAC2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1C=CC(c2cc3nc(-n4ccc(-c5ccccc5)n4)cc(N4CCCCC4)n3n2)N1C
InChIInChI=1S/C25H28N8/c1-29-15-12-22(30(29)2)21-17-24-26-23(18-25(33(24)28-21)31-13-7-4-8-14-31)32-16-11-20(27-32)19-9-5-3-6-10-19/h3,5-6,9-12,15-18,22H,4,7-8,13-14H2,1-2H3
InChIKeyLAKAJEOTRHHPRI-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.92
Rot. Bonds4

About 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 167214470) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID167214470
Molecular FormulaC25H28N8
Molecular Weight440.56 g/mol
Exact Mass440.24
IUPAC Name2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1C=CC(c2cc3nc(-n4ccc(-c5ccccc5)n4)cc(N4CCCCC4)n3n2)N1C
InChIInChI=1S/C25H28N8/c1-29-15-12-22(30(29)2)21-17-24-26-23(18-25(33(24)28-21)31-13-7-4-8-14-31)32-16-11-20(27-32)19-9-5-3-6-10-19/h3,5-6,9-12,15-18,22H,4,7-8,13-14H2,1-2H3
InChIKeyLAKAJEOTRHHPRI-UHFFFAOYSA-N
XLogP3.92
TPSA57.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 167214470) is 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is CN1C=CC(c2cc3nc(-n4ccc(-c5ccccc5)n4)cc(N4CCCCC4)n3n2)N1C.
What is the InChIKey of 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LAKAJEOTRHHPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8/c1-29-15-12-22(30(29)2)21-17-24-26-23(18-25(33(24)28-21)31-13-7-4-8-14-31)32-16-11-20(27-32)19-9-5-3-6-10-19/h3,5-6,9-12,15-18,22H,4,7-8,13-14H2,1-2H3.
What are the key properties of 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 440.56 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167214470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).