3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C11H11N3O2 — CID 156565673

IUPAC3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C11H11N3O2/c1-16-10-5-3-2-4-7(10)8-6-9(11(12)15)14-13-8/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeyYWVGUOFYPOATNP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.18
Rot. Bonds3

About 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 156565673) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID156565673
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C11H11N3O2/c1-16-10-5-3-2-4-7(10)8-6-9(11(12)15)14-13-8/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeyYWVGUOFYPOATNP-UHFFFAOYSA-N
XLogP1.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 156565673) is 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YWVGUOFYPOATNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-5-3-2-4-7(10)8-6-9(11(12)15)14-13-8/h2-6H,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 156565673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).