N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide

C19H16Br2ClF2N5O — CID 19524014

IUPACN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)c(Br)c1C1CC1)Nc1nn(Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C19H16Br2ClF2N5O/c20-12-8-28(7-11-3-1-2-4-13(11)22)27-19(12)25-14(30)9-29-17(10-5-6-10)15(21)16(26-29)18(23)24/h1-4,8,10,18H,5-7,9H2,(H,25,27,30)
InChIKeyZJECLXJGOSLRJA-UHFFFAOYSA-N
MW563.63 g/mol
LogP5.76
Rot. Bonds7

About N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19524014) has the molecular formula C19H16Br2ClF2N5O and a molecular weight of 563.63 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19524014
Molecular FormulaC19H16Br2ClF2N5O
Molecular Weight563.63 g/mol
Exact Mass560.94
IUPAC NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)c(Br)c1C1CC1)Nc1nn(Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C19H16Br2ClF2N5O/c20-12-8-28(7-11-3-1-2-4-13(11)22)27-19(12)25-14(30)9-29-17(10-5-6-10)15(21)16(26-29)18(23)24/h1-4,8,10,18H,5-7,9H2,(H,25,27,30)
InChIKeyZJECLXJGOSLRJA-UHFFFAOYSA-N
XLogP5.76
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.63
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519764
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19524117
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519461
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19286999
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methylpyrazol-1-yl)acetamide
CID 19517814
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287180
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
CID 19524178
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19287096
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19524064
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19529658
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19520042

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (CID 19524014) is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)Nc1nn(Cc2ccccc2Cl)cc1Br.
What is the InChIKey of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZJECLXJGOSLRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2ClF2N5O/c20-12-8-28(7-11-3-1-2-4-13(11)22)27-19(12)25-14(30)9-29-17(10-5-6-10)15(21)16(26-29)18(23)24/h1-4,8,10,18H,5-7,9H2,(H,25,27,30).
What are the key properties of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 563.63 g/mol, XLogP of 5.76, 7 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-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19524014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).