4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide

C16H15BrClN5O — CID 19267428

IUPAC4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)n1
InChIInChI=1S/C16H15BrClN5O/c1-2-22-10-14(17)15(21-22)16(24)20-13-7-19-23(9-13)8-11-4-3-5-12(18)6-11/h3-7,9-10H,2,8H2,1H3,(H,20,24)
InChIKeyCYKLMFCTXCADHA-UHFFFAOYSA-N
MW408.69 g/mol
LogP3.82
Rot. Bonds5

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

4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19267428) 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-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID19267428
Molecular FormulaC16H15BrClN5O
Molecular Weight408.69 g/mol
Exact Mass407.01
IUPAC Name4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)n1
InChIInChI=1S/C16H15BrClN5O/c1-2-22-10-14(17)15(21-22)16(24)20-13-7-19-23(9-13)8-11-4-3-5-12(18)6-11/h3-7,9-10H,2,8H2,1H3,(H,20,24)
InChIKeyCYKLMFCTXCADHA-UHFFFAOYSA-N
XLogP3.82
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263418
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267419
4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267436
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266265
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468542
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
4-bromo-1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267344
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268317
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263530
4-chloro-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263426
4-chloro-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-3-carboxamide
CID 19263371

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide (CID 19267428) is 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)n1.
What is the InChIKey of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is CYKLMFCTXCADHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN5O/c1-2-22-10-14(17)15(21-22)16(24)20-13-7-19-23(9-13)8-11-4-3-5-12(18)6-11/h3-7,9-10H,2,8H2,1H3,(H,20,24).
What are the key properties of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide?
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 408.69 g/mol, XLogP of 3.82, 5 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-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19267428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).