N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide

C18H25N5O2 — CID 7386738

IUPACN-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NC2CCCC2)n1
InChIInChI=1S/C18H25N5O2/c1-11-9-12(2)23(21-11)18-19-14(4)13(3)17(25)22(18)10-16(24)20-15-7-5-6-8-15/h9,15H,5-8,10H2,1-4H3,(H,20,24)
InChIKeyYYMHVCSEKIOBCC-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.72
Rot. Bonds4

About N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide

N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 7386738) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID7386738
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NC2CCCC2)n1
InChIInChI=1S/C18H25N5O2/c1-11-9-12(2)23(21-11)18-19-14(4)13(3)17(25)22(18)10-16(24)20-15-7-5-6-8-15/h9,15H,5-8,10H2,1-4H3,(H,20,24)
InChIKeyYYMHVCSEKIOBCC-UHFFFAOYSA-N
XLogP1.72
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide (CID 7386738) is N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide is Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is YYMHVCSEKIOBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-9-12(2)23(21-11)18-19-14(4)13(3)17(25)22(18)10-16(24)20-15-7-5-6-8-15/h9,15H,5-8,10H2,1-4H3,(H,20,24).
What are the key properties of N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 7386738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).