N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C13H16ClN5O2 — CID 136662441

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCn2cc(Cl)cn2)c(=O)[nH]1
InChIInChI=1S/C13H16ClN5O2/c1-8-11(13(21)18-9(2)17-8)5-12(20)15-3-4-19-7-10(14)6-16-19/h6-7H,3-5H2,1-2H3,(H,15,20)(H,17,18,21)
InChIKeyLWRCJSHOCCEMHG-UHFFFAOYSA-N
MW309.76 g/mol
LogP0.60
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136662441) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136662441
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCn2cc(Cl)cn2)c(=O)[nH]1
InChIInChI=1S/C13H16ClN5O2/c1-8-11(13(21)18-9(2)17-8)5-12(20)15-3-4-19-7-10(14)6-16-19/h6-7H,3-5H2,1-2H3,(H,15,20)(H,17,18,21)
InChIKeyLWRCJSHOCCEMHG-UHFFFAOYSA-N
XLogP0.60
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 136905749
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 167879268
N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136890090
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 137214437
N-(2,5-dichlorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669983
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136948026
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19283450
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665153
N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
CID 19283527
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136662441) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)NCCn2cc(Cl)cn2)c(=O)[nH]1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is LWRCJSHOCCEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-8-11(13(21)18-9(2)17-8)5-12(20)15-3-4-19-7-10(14)6-16-19/h6-7H,3-5H2,1-2H3,(H,15,20)(H,17,18,21).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 309.76 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136662441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).