N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide

C19H18BrN3O3 — CID 19403933

IUPACN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C19H18BrN3O3/c1-25-17-7-14(8-18(9-17)26-2)19(24)22-16-10-21-23(12-16)11-13-3-5-15(20)6-4-13/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeySPXDELGEFPFFMZ-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.96
Rot. Bonds6

About N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide (PubChem CID 19403933) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
PubChem CID19403933
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC NameN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C19H18BrN3O3/c1-25-17-7-14(8-18(9-17)26-2)19(24)22-16-10-21-23(12-16)11-13-3-5-15(20)6-4-13/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeySPXDELGEFPFFMZ-UHFFFAOYSA-N
XLogP3.96
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
CID 35277892
3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
CID 19403863
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)urea
CID 35277983
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19340332
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
3-[4-[[1-[(4-bromophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471227
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-nitrobenzamide
CID 19403842
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
methyl 1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
CID 154827636
1-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19404021
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19404106

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide (CID 19403933) is N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide?
The InChIKey is SPXDELGEFPFFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-25-17-7-14(8-18(9-17)26-2)19(24)22-16-10-21-23(12-16)11-13-3-5-15(20)6-4-13/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide?
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide has a molecular weight of 416.28 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 19403933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).