N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide

C16H18BrF2N3O2 — CID 19330082

IUPACN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide
SMILESCc1nn(CCCNC(=O)c2ccc(OC(F)F)cc2)c(C)c1Br
InChIInChI=1S/C16H18BrF2N3O2/c1-10-14(17)11(2)22(21-10)9-3-8-20-15(23)12-4-6-13(7-5-12)24-16(18)19/h4-7,16H,3,8-9H2,1-2H3,(H,20,23)
InChIKeyFKELKRKSRWAUHM-UHFFFAOYSA-N
MW402.24 g/mol
LogP3.68
Rot. Bonds7

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

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide (PubChem CID 19330082) has the molecular formula C16H18BrF2N3O2 and a molecular weight of 402.24 g/mol. Its IUPAC name is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide
PubChem CID19330082
Molecular FormulaC16H18BrF2N3O2
Molecular Weight402.24 g/mol
Exact Mass401.06
IUPAC NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide
SMILESCc1nn(CCCNC(=O)c2ccc(OC(F)F)cc2)c(C)c1Br
InChIInChI=1S/C16H18BrF2N3O2/c1-10-14(17)11(2)22(21-10)9-3-8-20-15(23)12-4-6-13(7-5-12)24-16(18)19/h4-7,16H,3,8-9H2,1-2H3,(H,20,23)
InChIKeyFKELKRKSRWAUHM-UHFFFAOYSA-N
XLogP3.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 4863020
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzamide
CID 19330134
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 35284531
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19330154
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327860
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293753
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-ethylpyrazole-4-carboxamide
CID 19281138
5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 4772785
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19330078

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide (CID 19330082) is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide is Cc1nn(CCCNC(=O)c2ccc(OC(F)F)cc2)c(C)c1Br.
What is the InChIKey of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide?
The InChIKey is FKELKRKSRWAUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF2N3O2/c1-10-14(17)11(2)22(21-10)9-3-8-20-15(23)12-4-6-13(7-5-12)24-16(18)19/h4-7,16H,3,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide?
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide has a molecular weight of 402.24 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 19330082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).