1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid

C18H17N5O3 — CID 167822125

IUPAC1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)NCc3cnn(C)c3C(=O)O)cc2)nn1
InChIInChI=1S/C18H17N5O3/c1-11-3-8-15(22-21-11)12-4-6-13(7-5-12)17(24)19-9-14-10-20-23(2)16(14)18(25)26/h3-8,10H,9H2,1-2H3,(H,19,24)(H,25,26)
InChIKeyDOPHOMVPACXZOR-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.81
Rot. Bonds5

About 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid

1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid (PubChem CID 167822125) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid
PubChem CID167822125
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)NCc3cnn(C)c3C(=O)O)cc2)nn1
InChIInChI=1S/C18H17N5O3/c1-11-3-8-15(22-21-11)12-4-6-13(7-5-12)17(24)19-9-14-10-20-23(2)16(14)18(25)26/h3-8,10H,9H2,1-2H3,(H,19,24)(H,25,26)
InChIKeyDOPHOMVPACXZOR-UHFFFAOYSA-N
XLogP1.81
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-methylpyridazin-3-yl)benzoic acid
CID 53426337
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
1-methyl-4-[[[4-(methylcarbamoyl)phenyl]methylamino]methyl]pyrazole-5-carboxylic acid
CID 166253855
4-[[(2-benzyl-3-phenylpropanoyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 166396192
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
4-[[[4-(difluoromethyl)-2-phenyl-1,3-thiazole-5-carbonyl]amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 167812674
1-methyl-4-[[(4-methyl-6-nitropyridine-3-carbonyl)amino]methyl]pyrazole-5-carboxylic acid
CID 167951103
4-[[(2-bromo-4-methoxybenzoyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 166369316
4-[[(5-chloro-1-phenylpyrazole-4-carbonyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 167896020
4-[[(1-benzylindole-2-carbonyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 167919345
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103861052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid (CID 167822125) is 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid is Cc1ccc(-c2ccc(C(=O)NCc3cnn(C)c3C(=O)O)cc2)nn1.
What is the InChIKey of 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid?
The InChIKey is DOPHOMVPACXZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11-3-8-15(22-21-11)12-4-6-13(7-5-12)17(24)19-9-14-10-20-23(2)16(14)18(25)26/h3-8,10H,9H2,1-2H3,(H,19,24)(H,25,26).
What are the key properties of 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid?
1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 167822125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).