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

C13H17N5 — CID 53172426

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(C)n(-c2ccnc(N3CCCC3)n2)n1
InChIInChI=1S/C13H17N5/c1-10-9-11(2)18(16-10)12-5-6-14-13(15-12)17-7-3-4-8-17/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyVJPHXHAYVOJHQI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds2

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

4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 53172426) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID53172426
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(C)n(-c2ccnc(N3CCCC3)n2)n1
InChIInChI=1S/C13H17N5/c1-10-9-11(2)18(16-10)12-5-6-14-13(15-12)17-7-3-4-8-17/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyVJPHXHAYVOJHQI-UHFFFAOYSA-N
XLogP1.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine (CID 53172426) is 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine is Cc1cc(C)n(-c2ccnc(N3CCCC3)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is VJPHXHAYVOJHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-9-11(2)18(16-10)12-5-6-14-13(15-12)17-7-3-4-8-17/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 53172426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).