N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide

C17H17BrClN5O2 — CID 19279042

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H17BrClN5O2/c1-22(10-16-14(18)9-20-23(16)2)17(25)15-7-8-24(21-15)11-26-13-5-3-12(19)4-6-13/h3-9H,10-11H2,1-2H3
InChIKeyXSFQQAWFTODMKS-UHFFFAOYSA-N
MW438.71 g/mol
LogP3.34
Rot. Bonds6

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

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19279042) has the molecular formula C17H17BrClN5O2 and a molecular weight of 438.71 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19279042
Molecular FormulaC17H17BrClN5O2
Molecular Weight438.71 g/mol
Exact Mass437.03
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H17BrClN5O2/c1-22(10-16-14(18)9-20-23(16)2)17(25)15-7-8-24(21-15)11-26-13-5-3-12(19)4-6-13/h3-9H,10-11H2,1-2H3
InChIKeyXSFQQAWFTODMKS-UHFFFAOYSA-N
XLogP3.34
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278589
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278482
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278371
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278699
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide
CID 19296548
1-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19279036
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278351
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19458444
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278682
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19279022
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19296577
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278680

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide (CID 19279042) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide is CN(Cc1c(Br)cnn1C)C(=O)c1ccn(COc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is XSFQQAWFTODMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN5O2/c1-22(10-16-14(18)9-20-23(16)2)17(25)15-7-8-24(21-15)11-26-13-5-3-12(19)4-6-13/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 438.71 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19279042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).