2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine

C19H21N5 — CID 7647154

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CCCC3)n2)n1
InChIInChI=1S/C19H21N5/c1-14-12-15(2)24(22-14)19-20-17(16-8-4-3-5-9-16)13-18(21-19)23-10-6-7-11-23/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3
InChIKeyCRXIRJQKCURMGC-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.55
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine

2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 7647154) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID7647154
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CCCC3)n2)n1
InChIInChI=1S/C19H21N5/c1-14-12-15(2)24(22-14)19-20-17(16-8-4-3-5-9-16)13-18(21-19)23-10-6-7-11-23/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3
InChIKeyCRXIRJQKCURMGC-UHFFFAOYSA-N
XLogP3.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine (CID 7647154) is 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine is Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CCCC3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is CRXIRJQKCURMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-12-15(2)24(22-14)19-20-17(16-8-4-3-5-9-16)13-18(21-19)23-10-6-7-11-23/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 319.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 7647154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).