N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide

C12H13N3O2 — CID 6466371

IUPACN-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C12H13N3O2/c1-15-11(7-8-13-15)12(16)14-9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H,14,16)
InChIKeyJPQJTIAERKTLQT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.68
Rot. Bonds3

About N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide

N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 6466371) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID6466371
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C12H13N3O2/c1-15-11(7-8-13-15)12(16)14-9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H,14,16)
InChIKeyJPQJTIAERKTLQT-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-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide (CID 6466371) is N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide is COc1ccc(NC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is JPQJTIAERKTLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-11(7-8-13-15)12(16)14-9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H,14,16).
What are the key properties of N-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide?
N-(4-methoxyphenyl)-2-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-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6466371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).