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

C20H18BrClFN7O — CID 19264405

IUPAC1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)Nc3nn(Cc4ccccc4F)cc3Cl)n2)c(C)c1Br
InChIInChI=1S/C20H18BrClFN7O/c1-12-18(21)13(2)30(25-12)11-28-8-7-17(26-28)20(31)24-19-15(22)10-29(27-19)9-14-5-3-4-6-16(14)23/h3-8,10H,9,11H2,1-2H3,(H,24,27,31)
InChIKeyUXBMWZSXBOAPAT-UHFFFAOYSA-N
MW506.77 g/mol
LogP4.25
Rot. Bonds6

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

1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19264405) has the molecular formula C20H18BrClFN7O and a molecular weight of 506.77 g/mol. Its IUPAC name is 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
PubChem CID19264405
Molecular FormulaC20H18BrClFN7O
Molecular Weight506.77 g/mol
Exact Mass505.04
IUPAC Name1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)Nc3nn(Cc4ccccc4F)cc3Cl)n2)c(C)c1Br
InChIInChI=1S/C20H18BrClFN7O/c1-12-18(21)13(2)30(25-12)11-28-8-7-17(26-28)20(31)24-19-15(22)10-29(27-19)9-14-5-3-4-6-16(14)23/h3-8,10H,9,11H2,1-2H3,(H,24,27,31)
InChIKeyUXBMWZSXBOAPAT-UHFFFAOYSA-N
XLogP4.25
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19272076
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271258
3-[3-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506598
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19337746
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzamide
CID 19409434
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19551896
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280091
N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19400714
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517020
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532640
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 19264288
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 35327322

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (CID 19264405) is 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is Cc1nn(Cn2ccc(C(=O)Nc3nn(Cc4ccccc4F)cc3Cl)n2)c(C)c1Br.
What is the InChIKey of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is UXBMWZSXBOAPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClFN7O/c1-12-18(21)13(2)30(25-12)11-28-8-7-17(26-28)20(31)24-19-15(22)10-29(27-19)9-14-5-3-4-6-16(14)23/h3-8,10H,9,11H2,1-2H3,(H,24,27,31).
What are the key properties of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 506.77 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19264405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).