N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide

C15H19N3O3 — CID 51305032

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(C)c2C)cc1OC
InChIInChI=1S/C15H19N3O3/c1-10-12(9-17-18(10)2)15(19)16-8-11-5-6-13(20-3)14(7-11)21-4/h5-7,9H,8H2,1-4H3,(H,16,19)
InChIKeyGCDZNDGKPOGSTM-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.68
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 51305032) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID51305032
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(C)c2C)cc1OC
InChIInChI=1S/C15H19N3O3/c1-10-12(9-17-18(10)2)15(19)16-8-11-5-6-13(20-3)14(7-11)21-4/h5-7,9H,8H2,1-4H3,(H,16,19)
InChIKeyGCDZNDGKPOGSTM-UHFFFAOYSA-N
XLogP1.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 60573967
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 76932662
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51090455
1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 33283165
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide (CID 51305032) is N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cnn(C)c2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is GCDZNDGKPOGSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-12(9-17-18(10)2)15(19)16-8-11-5-6-13(20-3)14(7-11)21-4/h5-7,9H,8H2,1-4H3,(H,16,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 51305032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).