2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide

C12H13N3O2 — CID 67052553

IUPAC2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(-n2nccc2CC(N)=O)cc1
InChIInChI=1S/C12H13N3O2/c1-17-11-4-2-9(3-5-11)15-10(6-7-14-15)8-12(13)16/h2-7H,8H2,1H3,(H2,13,16)
InChIKeySNXFVJWVWSPNTR-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.91
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide

2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide (PubChem CID 67052553) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide
PubChem CID67052553
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(-n2nccc2CC(N)=O)cc1
InChIInChI=1S/C12H13N3O2/c1-17-11-4-2-9(3-5-11)15-10(6-7-14-15)8-12(13)16/h2-7H,8H2,1H3,(H2,13,16)
InChIKeySNXFVJWVWSPNTR-UHFFFAOYSA-N
XLogP0.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-bis(4-methoxyphenyl)pyrazole
CID 57058186
5-bromo-1-(4-methoxyphenyl)pyrazole
CID 79020309
2-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 105454164
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 115069138
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818387
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
[3-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11160955
2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 146039964
methyl 2-[3-(4-methoxyphenyl)-1,3,4,7,8,12-hexazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-yl]acetate
CID 66502557
(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 42585439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide (CID 67052553) is 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide is COc1ccc(-n2nccc2CC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide?
The InChIKey is SNXFVJWVWSPNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-11-4-2-9(3-5-11)15-10(6-7-14-15)8-12(13)16/h2-7H,8H2,1H3,(H2,13,16).
What are the key properties of 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide?
2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide has a molecular weight of 231.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 67052553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).