2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide

C19H19N3O2 — CID 174965768

IUPAC2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Oc2ccc(CNC(=O)c3ccnn3C)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-3-7-16(8-4-14)24-17-9-5-15(6-10-17)13-20-19(23)18-11-12-21-22(18)2/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeySVLDMYCJVYQVCE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.45
Rot. Bonds5

About 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide

2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 174965768) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID174965768
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Oc2ccc(CNC(=O)c3ccnn3C)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-3-7-16(8-4-14)24-17-9-5-15(6-10-17)13-20-19(23)18-11-12-21-22(18)2/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeySVLDMYCJVYQVCE-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea
CID 108813684
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373
3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008422
N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851660
3-tert-butyl-1-methyl-N-[[4-(4-methylsulfinylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 139656053
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide (CID 174965768) is 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide is Cc1ccc(Oc2ccc(CNC(=O)c3ccnn3C)cc2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is SVLDMYCJVYQVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-3-7-16(8-4-14)24-17-9-5-15(6-10-17)13-20-19(23)18-11-12-21-22(18)2/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide?
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 174965768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).