N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide

C14H16BrN3O3 — CID 19296461

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2c(Br)cnn2C)c1
InChIInChI=1S/C14H16BrN3O3/c1-18-13(12(15)7-17-18)8-16-14(19)9-4-10(20-2)6-11(5-9)21-3/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyHMYMBRMUUUSKNS-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.13
Rot. Bonds5

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide (PubChem CID 19296461) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide
PubChem CID19296461
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2c(Br)cnn2C)c1
InChIInChI=1S/C14H16BrN3O3/c1-18-13(12(15)7-17-18)8-16-14(19)9-4-10(20-2)6-11(5-9)21-3/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyHMYMBRMUUUSKNS-UHFFFAOYSA-N
XLogP2.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]benzoate
CID 19296541
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19296430
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 19294800
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide
CID 19296614
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 19294775
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide
CID 19296466
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19296406
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide (CID 19296461) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCc2c(Br)cnn2C)c1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is HMYMBRMUUUSKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-18-13(12(15)7-17-18)8-16-14(19)9-4-10(20-2)6-11(5-9)21-3/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 354.20 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 19296461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).