N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C11H11N3O3 — CID 112513876

IUPACN-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(=O)[nH][nH]2)c1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-2-3-7(5-8)12-11(16)9-6-10(15)14-13-9/h2-6H,1H3,(H,12,16)(H2,13,14,15)
InChIKeyIMYJUDHGBSEEOY-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.96
Rot. Bonds3

About N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513876) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513876
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(=O)[nH][nH]2)c1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-2-3-7(5-8)12-11(16)9-6-10(15)14-13-9/h2-6H,1H3,(H,12,16)(H2,13,14,15)
InChIKeyIMYJUDHGBSEEOY-UHFFFAOYSA-N
XLogP0.96
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
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CID 161026095
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
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CID 110860019

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 112513876) is N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is COc1cccc(NC(=O)c2cc(=O)[nH][nH]2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is IMYJUDHGBSEEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-8-4-2-3-7(5-8)12-11(16)9-6-10(15)14-13-9/h2-6H,1H3,(H,12,16)(H2,13,14,15).
What are the key properties of N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).