3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide

C19H20BrCl2N5O — CID 19393020

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2cc(C)n(Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1Br
InChIInChI=1S/C19H20BrCl2N5O/c1-11-8-17(25-27(11)10-14-4-5-15(21)16(22)9-14)23-18(28)6-7-26-13(3)19(20)12(2)24-26/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,25,28)
InChIKeyGBFPZTZMVCQZKU-UHFFFAOYSA-N
MW485.21 g/mol
LogP5.15
Rot. Bonds6

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (PubChem CID 19393020) has the molecular formula C19H20BrCl2N5O and a molecular weight of 485.21 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
PubChem CID19393020
Molecular FormulaC19H20BrCl2N5O
Molecular Weight485.21 g/mol
Exact Mass483.02
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2cc(C)n(Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1Br
InChIInChI=1S/C19H20BrCl2N5O/c1-11-8-17(25-27(11)10-14-4-5-15(21)16(22)9-14)23-18(28)6-7-26-13(3)19(20)12(2)24-26/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,25,28)
InChIKeyGBFPZTZMVCQZKU-UHFFFAOYSA-N
XLogP5.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.21
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411503
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19345538
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19283987
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 19559871
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19404233
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19284023
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19561511
1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19393299
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea
CID 19405462
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (CID 19393020) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is Cc1nn(CCC(=O)Nc2cc(C)n(Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The InChIKey is GBFPZTZMVCQZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl2N5O/c1-11-8-17(25-27(11)10-14-4-5-15(21)16(22)9-14)23-18(28)6-7-26-13(3)19(20)12(2)24-26/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,25,28).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide has a molecular weight of 485.21 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 19393020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).