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

C14H19N5 — CID 7424268

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCCC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H19N5/c1-10-9-13(18-6-4-5-7-18)16-14(15-10)19-12(3)8-11(2)17-19/h8-9H,4-7H2,1-3H3
InChIKeyBCNOFNFKGNBPQL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds2

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

2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 7424268) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID7424268
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCCC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H19N5/c1-10-9-13(18-6-4-5-7-18)16-14(15-10)19-12(3)8-11(2)17-19/h8-9H,4-7H2,1-3H3
InChIKeyBCNOFNFKGNBPQL-UHFFFAOYSA-N
XLogP2.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
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-methyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine (CID 7424268) is 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine is Cc1cc(N2CCCC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is BCNOFNFKGNBPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-9-13(18-6-4-5-7-18)16-14(15-10)19-12(3)8-11(2)17-19/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine?
2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 257.34 g/mol, XLogP of 2.19, 2 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-methyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 7424268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).