4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

C20H21BrN8O3 — CID 19398213

IUPAC4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3ccco3)n2)c(C)c1Br
InChIInChI=1S/C20H21BrN8O3/c1-12-17(21)13(2)29(25-12)11-28-7-6-15(26-28)19(30)24-16-10-23-27(3)18(16)20(31)22-9-14-5-4-8-32-14/h4-8,10H,9,11H2,1-3H3,(H,22,31)(H,24,30)
InChIKeyWJLSQFCBGYJLOC-UHFFFAOYSA-N
MW501.35 g/mol
LogP2.47
Rot. Bonds7

About 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 19398213) has the molecular formula C20H21BrN8O3 and a molecular weight of 501.35 g/mol. Its IUPAC name is 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
PubChem CID19398213
Molecular FormulaC20H21BrN8O3
Molecular Weight501.35 g/mol
Exact Mass500.09
IUPAC Name4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3ccco3)n2)c(C)c1Br
InChIInChI=1S/C20H21BrN8O3/c1-12-17(21)13(2)29(25-12)11-28-7-6-15(26-28)19(30)24-16-10-23-27(3)18(16)20(31)22-9-14-5-4-8-32-14/h4-8,10H,9,11H2,1-3H3,(H,22,31)(H,24,30)
InChIKeyWJLSQFCBGYJLOC-UHFFFAOYSA-N
XLogP2.47
TPSA124.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide 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-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406173
1-[2-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502280
4-[[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19265001
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398172
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19264280
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
N-[4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19264401
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
1-[1-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506277
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 19398264
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-bromopyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19282907

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide (CID 19398213) is 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide is Cc1nn(Cn2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3ccco3)n2)c(C)c1Br.
What is the InChIKey of 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is WJLSQFCBGYJLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN8O3/c1-12-17(21)13(2)29(25-12)11-28-7-6-15(26-28)19(30)24-16-10-23-27(3)18(16)20(31)22-9-14-5-4-8-32-14/h4-8,10H,9,11H2,1-3H3,(H,22,31)(H,24,30).
What are the key properties of 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 501.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19398213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).