3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

C18H16BrN3O3 — CID 24531993

IUPAC3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1
InChIInChI=1S/C18H16BrN3O3/c1-24-13-7-8-17(25-2)15(9-13)20-18(23)16-10-14(21-22-16)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyHAUMDFVAIYIPTE-UHFFFAOYSA-N
MW402.25 g/mol
LogP4.11
Rot. Bonds5

About 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 24531993) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID24531993
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1
InChIInChI=1S/C18H16BrN3O3/c1-24-13-7-8-17(25-2)15(9-13)20-18(23)16-10-14(21-22-16)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyHAUMDFVAIYIPTE-UHFFFAOYSA-N
XLogP4.11
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352014
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(4-bromo-2-methylphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920344
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
4-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 54792073
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920353
3-[4-(diaminomethylideneamino)phenyl]-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 122182849
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
dimethyl 2-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 51047543
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 24531993) is 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HAUMDFVAIYIPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-24-13-7-8-17(25-2)15(9-13)20-18(23)16-10-14(21-22-16)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24531993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).