N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C12H13N3O2 — CID 903366

IUPACN-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccn(C)n2)c1
InChIInChI=1S/C12H13N3O2/c1-15-7-6-11(14-15)12(16)13-9-4-3-5-10(8-9)17-2/h3-8H,1-2H3,(H,13,16)
InChIKeyPFZUPKRISONTCC-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.68
Rot. Bonds3

About N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide

N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 903366) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID903366
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccn(C)n2)c1
InChIInChI=1S/C12H13N3O2/c1-15-7-6-11(14-15)12(16)13-9-4-3-5-10(8-9)17-2/h3-8H,1-2H3,(H,13,16)
InChIKeyPFZUPKRISONTCC-UHFFFAOYSA-N
XLogP1.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 903366) is N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1cccc(NC(=O)c2ccn(C)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is PFZUPKRISONTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-7-6-11(14-15)12(16)13-9-4-3-5-10(8-9)17-2/h3-8H,1-2H3,(H,13,16).
What are the key properties of N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 903366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).