3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide

C17H17BrClN5O2 — CID 19566294

IUPAC3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide
SMILESCC(Cn1cc(Br)cn1)C(=O)Nc1cnn(COc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17BrClN5O2/c1-12(8-23-9-13(18)6-20-23)17(25)22-15-7-21-24(10-15)11-26-16-4-2-3-14(19)5-16/h2-7,9-10,12H,8,11H2,1H3,(H,22,25)
InChIKeySOEMSKXZAJJRHE-UHFFFAOYSA-N
MW438.71 g/mol
LogP3.81
Rot. Bonds7

About 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide

3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide (PubChem CID 19566294) has the molecular formula C17H17BrClN5O2 and a molecular weight of 438.71 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide
PubChem CID19566294
Molecular FormulaC17H17BrClN5O2
Molecular Weight438.71 g/mol
Exact Mass437.03
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide
SMILESCC(Cn1cc(Br)cn1)C(=O)Nc1cnn(COc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17BrClN5O2/c1-12(8-23-9-13(18)6-20-23)17(25)22-15-7-21-24(10-15)11-26-16-4-2-3-14(19)5-16/h2-7,9-10,12H,8,11H2,1H3,(H,22,25)
InChIKeySOEMSKXZAJJRHE-UHFFFAOYSA-N
XLogP3.81
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19535896
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide
CID 19517324
1-butan-2-yl-3-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]thiourea
CID 19445498
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19448067
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528373
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19408700
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19561582
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(2-methylphenyl)thiourea
CID 19445501
3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
CID 19570569
3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4865431
(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 35529843

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide (CID 19566294) is 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide is CC(Cn1cc(Br)cn1)C(=O)Nc1cnn(COc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is SOEMSKXZAJJRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN5O2/c1-12(8-23-9-13(18)6-20-23)17(25)22-15-7-21-24(10-15)11-26-16-4-2-3-14(19)5-16/h2-7,9-10,12H,8,11H2,1H3,(H,22,25).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide?
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 438.71 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 19566294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).