2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

C19H21N5O2 — CID 121112540

IUPAC2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)cc1
InChIInChI=1S/C19H21N5O2/c1-12-13(2)23-24(14(12)3)19-20-10-16(11-21-19)22-18(25)9-15-5-7-17(26-4)8-6-15/h5-8,10-11H,9H2,1-4H3,(H,22,25)
InChIKeyVGVHGDLVIYEKLH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 121112540) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID121112540
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)cc1
InChIInChI=1S/C19H21N5O2/c1-12-13(2)23-24(14(12)3)19-20-10-16(11-21-19)22-18(25)9-15-5-7-17(26-4)8-6-15/h5-8,10-11H,9H2,1-4H3,(H,22,25)
InChIKeyVGVHGDLVIYEKLH-UHFFFAOYSA-N
XLogP2.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300676
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112541
4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 121112542
1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300603
2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300670
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088
2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301385
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
2-(4-methoxyphenoxy)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122310896
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (CID 121112540) is 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is COc1ccc(CC(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is VGVHGDLVIYEKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-13(2)23-24(14(12)3)19-20-10-16(11-21-19)22-18(25)9-15-5-7-17(26-4)8-6-15/h5-8,10-11H,9H2,1-4H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 121112540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).