N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide

C18H15BrClN3O2 — CID 55905390

IUPACN-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H15BrClN3O2/c1-11-15(10-21-23(11)14-5-3-4-13(20)9-14)18(24)22-16-8-12(19)6-7-17(16)25-2/h3-10H,1-2H3,(H,22,24)
InChIKeyCDLZHHMDZXAQGG-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.86
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide

N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55905390) has the molecular formula C18H15BrClN3O2 and a molecular weight of 420.69 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID55905390
Molecular FormulaC18H15BrClN3O2
Molecular Weight420.69 g/mol
Exact Mass419.00
IUPAC NameN-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H15BrClN3O2/c1-11-15(10-21-23(11)14-5-3-4-13(20)9-14)18(24)22-16-8-12(19)6-7-17(16)25-2/h3-10H,1-2H3,(H,22,24)
InChIKeyCDLZHHMDZXAQGG-UHFFFAOYSA-N
XLogP4.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 31940513
N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892594
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811
1-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylurea
CID 86835858
N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 47317681
1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
CID 46412300
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 46589827
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide (CID 55905390) is N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide is COc1ccc(Br)cc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is CDLZHHMDZXAQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O2/c1-11-15(10-21-23(11)14-5-3-4-13(20)9-14)18(24)22-16-8-12(19)6-7-17(16)25-2/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide?
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 420.69 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55905390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).