methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate

C15H17BrN2O4 — CID 67314720

IUPACmethyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate
SMILESCOCc1nn(-c2cccc(Br)c2)c(COC)c1C(=O)OC
InChIInChI=1S/C15H17BrN2O4/c1-20-8-12-14(15(19)22-3)13(9-21-2)18(17-12)11-6-4-5-10(16)7-11/h4-7H,8-9H2,1-3H3
InChIKeyCKTLXYDDMAXTGY-UHFFFAOYSA-N
MW369.22 g/mol
LogP2.71
Rot. Bonds6

About methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate

methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate (PubChem CID 67314720) has the molecular formula C15H17BrN2O4 and a molecular weight of 369.22 g/mol. Its IUPAC name is methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate
PubChem CID67314720
Molecular FormulaC15H17BrN2O4
Molecular Weight369.22 g/mol
Exact Mass368.04
IUPAC Namemethyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate
SMILESCOCc1nn(-c2cccc(Br)c2)c(COC)c1C(=O)OC
InChIInChI=1S/C15H17BrN2O4/c1-20-8-12-14(15(19)22-3)13(9-21-2)18(17-12)11-6-4-5-10(16)7-11/h4-7H,8-9H2,1-3H3
InChIKeyCKTLXYDDMAXTGY-UHFFFAOYSA-N
XLogP2.71
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate 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

1-(3-bromophenyl)-5-chloro-3-(methoxymethyl)pyrazole-4-carboxylic acid
CID 62320459
dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
CID 15942029
1-(3-bromophenyl)-5-(methoxymethyl)triazole-4-carbaldehyde
CID 82196991
methyl 1-(3-bromophenyl)-5-tert-butylpyrazole-3-carboxylate
CID 62874797
methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 66777683
[1-(3-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] 3-bromobenzoate
CID 42727061
methyl 1-(3-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43542649
5-chloro-1-(3-cyanophenyl)-3-(methoxymethyl)pyrazole-4-carboxylic acid
CID 62320654
ethyl 1-(3-bromophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
CID 7386837
methyl 1-[(3-bromophenyl)methyl]-1,2,4-triazole-3-carboxylate
CID 78925189
[5-(methoxymethyl)-1-(3-nitrophenyl)triazol-4-yl]methanol
CID 82200083
dimethyl 3-[3-[(3-bromophenyl)methoxy]-4-methoxyphenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389027

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate (CID 67314720) is methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate is COCc1nn(-c2cccc(Br)c2)c(COC)c1C(=O)OC.
What is the InChIKey of methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate?
The InChIKey is CKTLXYDDMAXTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4/c1-20-8-12-14(15(19)22-3)13(9-21-2)18(17-12)11-6-4-5-10(16)7-11/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate?
methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate has a molecular weight of 369.22 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 67314720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).