N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide

C18H26N6O2 — CID 25207961

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCCOCC1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H26N6O2/c1-5-26-11-15-7-6-8-23(15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25)
InChIKeyRAEPBILQBUXWGC-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide (PubChem CID 25207961) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
PubChem CID25207961
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCCOCC1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H26N6O2/c1-5-26-11-15-7-6-8-23(15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25)
InChIKeyRAEPBILQBUXWGC-UHFFFAOYSA-N
XLogP2.24
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide (CID 25207961) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide is CCOCC1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The InChIKey is RAEPBILQBUXWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-5-26-11-15-7-6-8-23(15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25207961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).