2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide

C13H17N5O — CID 112528731

IUPAC2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)Cc2ccn[nH]2)c(C)n1
InChIInChI=1S/C13H17N5O/c1-8-12(9(2)17-10(3)16-8)7-14-13(19)6-11-4-5-15-18-11/h4-5H,6-7H2,1-3H3,(H,14,19)(H,15,18)
InChIKeyPOECQXRRYJWRSQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.98
Rot. Bonds4

About 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide

2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide (PubChem CID 112528731) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
PubChem CID112528731
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)Cc2ccn[nH]2)c(C)n1
InChIInChI=1S/C13H17N5O/c1-8-12(9(2)17-10(3)16-8)7-14-13(19)6-11-4-5-15-18-11/h4-5H,6-7H2,1-3H3,(H,14,19)(H,15,18)
InChIKeyPOECQXRRYJWRSQ-UHFFFAOYSA-N
XLogP0.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385153
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 61284718
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186
N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79040356
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide?
The IUPAC name of 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide (CID 112528731) is 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide is Cc1nc(C)c(CNC(=O)Cc2ccn[nH]2)c(C)n1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide?
The InChIKey is POECQXRRYJWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-12(9(2)17-10(3)16-8)7-14-13(19)6-11-4-5-15-18-11/h4-5H,6-7H2,1-3H3,(H,14,19)(H,15,18).
What are the key properties of 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide?
2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 112528731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).