N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide

C19H20BrN3O3S — CID 19502981

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)N(C)Cc3c(Br)cnn3C)c2)cc1
InChIInChI=1S/C19H20BrN3O3S/c1-22(10-17-16(20)9-21-23(17)2)19(24)18-8-13(12-27-18)11-26-15-6-4-14(25-3)5-7-15/h4-9,12H,10-11H2,1-3H3
InChIKeySNUJPQNJRBRRRJ-UHFFFAOYSA-N
MW450.36 g/mol
LogP4.10
Rot. Bonds7

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 19502981) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide
PubChem CID19502981
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)N(C)Cc3c(Br)cnn3C)c2)cc1
InChIInChI=1S/C19H20BrN3O3S/c1-22(10-17-16(20)9-21-23(17)2)19(24)18-8-13(12-27-18)11-26-15-6-4-14(25-3)5-7-15/h4-9,12H,10-11H2,1-3H3
InChIKeySNUJPQNJRBRRRJ-UHFFFAOYSA-N
XLogP4.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(3,4-dimethylphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19481755
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19471731
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491233
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492909
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19458444
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methylbenzamide
CID 19458527
(E)-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19458393
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499092
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435
4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19505625
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide
CID 19458380
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498704

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide (CID 19502981) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide is COc1ccc(OCc2csc(C(=O)N(C)Cc3c(Br)cnn3C)c2)cc1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is SNUJPQNJRBRRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c1-22(10-17-16(20)9-21-23(17)2)19(24)18-8-13(12-27-18)11-26-15-6-4-14(25-3)5-7-15/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 450.36 g/mol, XLogP of 4.10, 7 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]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 19502981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).