4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide

C17H17BrClN5O — CID 19283969

IUPAC4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C17H17BrClN5O/c1-3-23-10-14(18)16(22-23)17(25)20-15-8-11(2)24(21-15)9-12-4-6-13(19)7-5-12/h4-8,10H,3,9H2,1-2H3,(H,20,21,25)
InChIKeyJVMKZGIBZJAYFD-UHFFFAOYSA-N
MW422.71 g/mol
LogP4.12
Rot. Bonds5

About 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide

4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19283969) has the molecular formula C17H17BrClN5O and a molecular weight of 422.71 g/mol. Its IUPAC name is 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID19283969
Molecular FormulaC17H17BrClN5O
Molecular Weight422.71 g/mol
Exact Mass421.03
IUPAC Name4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C17H17BrClN5O/c1-3-23-10-14(18)16(22-23)17(25)20-15-8-11(2)24(21-15)9-12-4-6-13(19)7-5-12/h4-8,10H,3,9H2,1-2H3,(H,20,21,25)
InChIKeyJVMKZGIBZJAYFD-UHFFFAOYSA-N
XLogP4.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19284270
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxopropanamide
CID 19284125
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19393291
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19283982
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19283987
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267428
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide (CID 19283969) is 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)n1.
What is the InChIKey of 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is JVMKZGIBZJAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN5O/c1-3-23-10-14(18)16(22-23)17(25)20-15-8-11(2)24(21-15)9-12-4-6-13(19)7-5-12/h4-8,10H,3,9H2,1-2H3,(H,20,21,25).
What are the key properties of 4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 422.71 g/mol, XLogP of 4.12, 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-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19283969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).