4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide

C21H25BrN6O2 — CID 19396346

IUPAC4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)cnn1C
InChIInChI=1S/C21H25BrN6O2/c1-5-10-23-21(30)19-17(11-24-27(19)4)25-20(29)16-8-6-15(7-9-16)12-28-14(3)18(22)13(2)26-28/h6-9,11H,5,10,12H2,1-4H3,(H,23,30)(H,25,29)
InChIKeyBUGRXHXVTXHSDT-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.44
Rot. Bonds7

About 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide

4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide (PubChem CID 19396346) has the molecular formula C21H25BrN6O2 and a molecular weight of 473.38 g/mol. Its IUPAC name is 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
PubChem CID19396346
Molecular FormulaC21H25BrN6O2
Molecular Weight473.38 g/mol
Exact Mass472.12
IUPAC Name4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)cnn1C
InChIInChI=1S/C21H25BrN6O2/c1-5-10-23-21(30)19-17(11-24-27(19)4)25-20(29)16-8-6-15(7-9-16)12-28-14(3)18(22)13(2)26-28/h6-9,11H,5,10,12H2,1-4H3,(H,23,30)(H,25,29)
InChIKeyBUGRXHXVTXHSDT-UHFFFAOYSA-N
XLogP3.44
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396338
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346186
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 35323608
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338974
1-methyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396173
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327860
methyl 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341620
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394333
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293753
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylbenzamide
CID 17412268
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396247

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The IUPAC name of 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide (CID 19396346) is 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)cnn1C.
What is the InChIKey of 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The InChIKey is BUGRXHXVTXHSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN6O2/c1-5-10-23-21(30)19-17(11-24-27(19)4)25-20(29)16-8-6-15(7-9-16)12-28-14(3)18(22)13(2)26-28/h6-9,11H,5,10,12H2,1-4H3,(H,23,30)(H,25,29).
What are the key properties of 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide?
4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide has a molecular weight of 473.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 19396346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).