4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid

C14H17N3O4 — CID 19624729

IUPAC4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ccc(OC)c(CNc2cnn(C)c2C(=O)O)c1
InChIInChI=1S/C14H17N3O4/c1-17-13(14(18)19)11(8-16-17)15-7-9-6-10(20-2)4-5-12(9)21-3/h4-6,8,15H,7H2,1-3H3,(H,18,19)
InChIKeySNQVSCUVODSOMN-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.75
Rot. Bonds6

About 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid

4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19624729) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID19624729
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ccc(OC)c(CNc2cnn(C)c2C(=O)O)c1
InChIInChI=1S/C14H17N3O4/c1-17-13(14(18)19)11(8-16-17)15-7-9-6-10(20-2)4-5-12(9)21-3/h4-6,8,15H,7H2,1-3H3,(H,18,19)
InChIKeySNQVSCUVODSOMN-UHFFFAOYSA-N
XLogP1.75
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,4-dimethoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630563
6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 154758297
4-[[(2-bromo-4-methoxybenzoyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 166369316
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-bromo-5-[3-(2,5-dimethoxyphenyl)propylamino]-2-methylpyridazin-3-one
CID 133403053
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795273
4-N-[(2,5-dimethoxyphenyl)methyl]-6-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795295
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid (CID 19624729) is 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid is COc1ccc(OC)c(CNc2cnn(C)c2C(=O)O)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is SNQVSCUVODSOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-17-13(14(18)19)11(8-16-17)15-7-9-6-10(20-2)4-5-12(9)21-3/h4-6,8,15H,7H2,1-3H3,(H,18,19).
What are the key properties of 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid?
4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19624729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).