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

C22H25N5O2 — CID 7588433

IUPACN-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)NC2CCCC2)n1
InChIInChI=1S/C22H25N5O2/c1-15-12-16(2)27(25-15)22-24-19(17-8-4-3-5-9-17)13-21(29)26(22)14-20(28)23-18-10-6-7-11-18/h3-5,8-9,12-13,18H,6-7,10-11,14H2,1-2H3,(H,23,28)
InChIKeyOWTJKDQETXPVGE-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.77
Rot. Bonds5

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

N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide (PubChem CID 7588433) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
PubChem CID7588433
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)NC2CCCC2)n1
InChIInChI=1S/C22H25N5O2/c1-15-12-16(2)27(25-15)22-24-19(17-8-4-3-5-9-17)13-21(29)26(22)14-20(28)23-18-10-6-7-11-18/h3-5,8-9,12-13,18H,6-7,10-11,14H2,1-2H3,(H,23,28)
InChIKeyOWTJKDQETXPVGE-UHFFFAOYSA-N
XLogP2.77
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.77
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)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide (CID 7588433) is N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide is Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The InChIKey is OWTJKDQETXPVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-12-16(2)27(25-15)22-24-19(17-8-4-3-5-9-17)13-21(29)26(22)14-20(28)23-18-10-6-7-11-18/h3-5,8-9,12-13,18H,6-7,10-11,14H2,1-2H3,(H,23,28).
What are the key properties of N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.77, 5 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)-6-oxo-4-phenylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 7588433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).