4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide

C16H15BrClN5O — CID 19266265

IUPAC4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)nn1C
InChIInChI=1S/C16H15BrClN5O/c1-10-14(17)15(21-22(10)2)16(24)20-13-7-19-23(9-13)8-11-4-3-5-12(18)6-11/h3-7,9H,8H2,1-2H3,(H,20,24)
InChIKeyWEGQOTDQRGLIKZ-UHFFFAOYSA-N
MW408.69 g/mol
LogP3.64
Rot. Bonds4

About 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266265) has the molecular formula C16H15BrClN5O and a molecular weight of 408.69 g/mol. Its IUPAC name is 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266265
Molecular FormulaC16H15BrClN5O
Molecular Weight408.69 g/mol
Exact Mass407.01
IUPAC Name4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)nn1C
InChIInChI=1S/C16H15BrClN5O/c1-10-14(17)15(21-22(10)2)16(24)20-13-7-19-23(9-13)8-11-4-3-5-12(18)6-11/h3-7,9H,8H2,1-2H3,(H,20,24)
InChIKeyWEGQOTDQRGLIKZ-UHFFFAOYSA-N
XLogP3.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268317
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267428
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
4-chloro-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263418
4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498682
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466638
4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266362
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266510
3-[3-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506642
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563
4-bromo-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266332
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266531

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 19266265) is 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Br)c(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)nn1C.
What is the InChIKey of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WEGQOTDQRGLIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN5O/c1-10-14(17)15(21-22(10)2)16(24)20-13-7-19-23(9-13)8-11-4-3-5-12(18)6-11/h3-7,9H,8H2,1-2H3,(H,20,24).
What are the key properties of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 408.69 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).