N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide

C19H19BrCl2FN5O — CID 19568601

IUPACN-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
SMILESCc1nn(CC(C)C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)c(C)c1Cl
InChIInChI=1S/C19H19BrCl2FN5O/c1-10(7-28-12(3)17(22)11(2)25-28)19(29)24-18-14(20)9-27(26-18)8-13-15(21)5-4-6-16(13)23/h4-6,9-10H,7-8H2,1-3H3,(H,24,26,29)
InChIKeyJUJLRPPEFRUOPG-UHFFFAOYSA-N
MW503.20 g/mol
LogP5.23
Rot. Bonds6

About N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide

N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide (PubChem CID 19568601) has the molecular formula C19H19BrCl2FN5O and a molecular weight of 503.20 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
PubChem CID19568601
Molecular FormulaC19H19BrCl2FN5O
Molecular Weight503.20 g/mol
Exact Mass501.01
IUPAC NameN-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
SMILESCc1nn(CC(C)C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)c(C)c1Cl
InChIInChI=1S/C19H19BrCl2FN5O/c1-10(7-28-12(3)17(22)11(2)25-28)19(29)24-18-14(20)9-27(26-18)8-13-15(21)5-4-6-16(13)23/h4-6,9-10H,7-8H2,1-3H3,(H,24,26,29)
InChIKeyJUJLRPPEFRUOPG-UHFFFAOYSA-N
XLogP5.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.20
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
CID 19568609
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559984
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570225
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549566
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19287405
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519471
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19286049
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287277
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506854
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17022876
4-chloro-N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477019
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19568663

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide (CID 19568601) is N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide is Cc1nn(CC(C)C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)c(C)c1Cl.
What is the InChIKey of N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The InChIKey is JUJLRPPEFRUOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrCl2FN5O/c1-10(7-28-12(3)17(22)11(2)25-28)19(29)24-18-14(20)9-27(26-18)8-13-15(21)5-4-6-16(13)23/h4-6,9-10H,7-8H2,1-3H3,(H,24,26,29).
What are the key properties of N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide has a molecular weight of 503.20 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 19568601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).