N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide

C15H19N3O2 — CID 56818575

IUPACN-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)nn2C)ccc1C
InChIInChI=1S/C15H19N3O2/c1-10-5-6-12(8-14(10)20-4)9-16-15(19)13-7-11(2)17-18(13)3/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyVQRMCTMAMZGHDT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.98
Rot. Bonds4

About N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 56818575) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID56818575
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)nn2C)ccc1C
InChIInChI=1S/C15H19N3O2/c1-10-5-6-12(8-14(10)20-4)9-16-15(19)13-7-11(2)17-18(13)3/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyVQRMCTMAMZGHDT-UHFFFAOYSA-N
XLogP1.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methoxy-4-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111278356
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
2-(3-methoxy-4-methylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622145
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 146264146

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 56818575) is N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is COc1cc(CNC(=O)c2cc(C)nn2C)ccc1C.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is VQRMCTMAMZGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-5-6-12(8-14(10)20-4)9-16-15(19)13-7-11(2)17-18(13)3/h5-8H,9H2,1-4H3,(H,16,19).
What are the key properties of N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 56818575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).