N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide

C13H15N3O2 — CID 110860027

IUPACN-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)cc2C)cc1
InChIInChI=1S/C13H15N3O2/c1-9-8-16(2)15-12(9)13(17)14-10-4-6-11(18-3)7-5-10/h4-8H,1-3H3,(H,14,17)
InChIKeyQOKOZOOALLNORF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds3

About N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide

N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 110860027) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID110860027
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)cc2C)cc1
InChIInChI=1S/C13H15N3O2/c1-9-8-16(2)15-12(9)13(17)14-10-4-6-11(18-3)7-5-10/h4-8H,1-3H3,(H,14,17)
InChIKeyQOKOZOOALLNORF-UHFFFAOYSA-N
XLogP1.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 4617866
N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110862780
4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
CID 65353904
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 26086305
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide (CID 110860027) is N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide is COc1ccc(NC(=O)c2nn(C)cc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is QOKOZOOALLNORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-8-16(2)15-12(9)13(17)14-10-4-6-11(18-3)7-5-10/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide?
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110860027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).