N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

C17H14BrN3O2 — CID 78836023

IUPACN-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H14BrN3O2/c1-23-14-7-5-11(6-8-14)16-15(10-19-21-16)17(22)20-13-4-2-3-12(18)9-13/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyAFROBXGQRGOLGO-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.10
Rot. Bonds4

About N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 78836023) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID78836023
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H14BrN3O2/c1-23-14-7-5-11(6-8-14)16-15(10-19-21-16)17(22)20-13-4-2-3-12(18)9-13/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyAFROBXGQRGOLGO-UHFFFAOYSA-N
XLogP4.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795174
5-(4-methoxyphenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 78834040
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
5-(4-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1H-pyrazole-4-carboxamide
CID 25390529
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 56548711
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17411393
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17433645
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 78836023) is N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AFROBXGQRGOLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-23-14-7-5-11(6-8-14)16-15(10-19-21-16)17(22)20-13-4-2-3-12(18)9-13/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78836023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).