3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide

C16H18BrF2N3O3 — CID 19561563

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
SMILESCOc1cc(NC(=O)CCn2nc(C)c(Br)c2C)ccc1OC(F)F
InChIInChI=1S/C16H18BrF2N3O3/c1-9-15(17)10(2)22(21-9)7-6-14(23)20-11-4-5-12(25-16(18)19)13(8-11)24-3/h4-5,8,16H,6-7H2,1-3H3,(H,20,23)
InChIKeySIXGNROEGPOIFS-UHFFFAOYSA-N
MW418.24 g/mol
LogP3.90
Rot. Bonds7

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide (PubChem CID 19561563) has the molecular formula C16H18BrF2N3O3 and a molecular weight of 418.24 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
PubChem CID19561563
Molecular FormulaC16H18BrF2N3O3
Molecular Weight418.24 g/mol
Exact Mass417.05
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
SMILESCOc1cc(NC(=O)CCn2nc(C)c(Br)c2C)ccc1OC(F)F
InChIInChI=1S/C16H18BrF2N3O3/c1-9-15(17)10(2)22(21-9)7-6-14(23)20-11-4-5-12(25-16(18)19)13(8-11)24-3/h4-5,8,16H,6-7H2,1-3H3,(H,20,23)
InChIKeySIXGNROEGPOIFS-UHFFFAOYSA-N
XLogP3.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazole-3-carboxamide
CID 19264387
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550050
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559886
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 19262883
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524111
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550051
3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
CID 19544155
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266603

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide (CID 19561563) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide is COc1cc(NC(=O)CCn2nc(C)c(Br)c2C)ccc1OC(F)F.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide?
The InChIKey is SIXGNROEGPOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF2N3O3/c1-9-15(17)10(2)22(21-9)7-6-14(23)20-11-4-5-12(25-16(18)19)13(8-11)24-3/h4-5,8,16H,6-7H2,1-3H3,(H,20,23).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide has a molecular weight of 418.24 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide is sourced from PubChem (CID 19561563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).