3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide

C18H19BrClN5O2 — CID 19561582

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2cnn(COc3cccc(Cl)c3)c2)c(C)c1Br
InChIInChI=1S/C18H19BrClN5O2/c1-12-18(19)13(2)25(23-12)7-6-17(26)22-15-9-21-24(10-15)11-27-16-5-3-4-14(20)8-16/h3-5,8-10H,6-7,11H2,1-2H3,(H,22,26)
InChIKeyHURTVEGHENRUPM-UHFFFAOYSA-N
MW452.74 g/mol
LogP4.18
Rot. Bonds7

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide (PubChem CID 19561582) has the molecular formula C18H19BrClN5O2 and a molecular weight of 452.74 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
PubChem CID19561582
Molecular FormulaC18H19BrClN5O2
Molecular Weight452.74 g/mol
Exact Mass451.04
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2cnn(COc3cccc(Cl)c3)c2)c(C)c1Br
InChIInChI=1S/C18H19BrClN5O2/c1-12-18(19)13(2)25(23-12)7-6-17(26)22-15-9-21-24(10-15)11-27-16-5-3-4-14(20)8-16/h3-5,8-10H,6-7,11H2,1-2H3,(H,22,26)
InChIKeyHURTVEGHENRUPM-UHFFFAOYSA-N
XLogP4.18
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.74
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19551897
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408561
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide
CID 19517324
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539977
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide
CID 19523514
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558234
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262105
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275470
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19566294
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
4-chloro-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481728

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide (CID 19561582) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide is Cc1nn(CCC(=O)Nc2cnn(COc3cccc(Cl)c3)c2)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide?
The InChIKey is HURTVEGHENRUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN5O2/c1-12-18(19)13(2)25(23-12)7-6-17(26)22-15-9-21-24(10-15)11-27-16-5-3-4-14(20)8-16/h3-5,8-10H,6-7,11H2,1-2H3,(H,22,26).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide has a molecular weight of 452.74 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19561582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).