N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C18H23BrF3N5O — CID 19563996

IUPACN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nn(CCCNC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c(C)c1Br
InChIInChI=1S/C18H23BrF3N5O/c1-11-17(19)12(2)26(24-11)8-3-7-23-16(28)6-9-27-14(13-4-5-13)10-15(25-27)18(20,21)22/h10,13H,3-9H2,1-2H3,(H,23,28)
InChIKeyIMZSXSXCTRKTDJ-UHFFFAOYSA-N
MW462.31 g/mol
LogP3.95
Rot. Bonds8

About N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19563996) has the molecular formula C18H23BrF3N5O and a molecular weight of 462.31 g/mol. Its IUPAC name is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19563996
Molecular FormulaC18H23BrF3N5O
Molecular Weight462.31 g/mol
Exact Mass461.10
IUPAC NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nn(CCCNC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c(C)c1Br
InChIInChI=1S/C18H23BrF3N5O/c1-11-17(19)12(2)26(24-11)8-3-7-23-16(28)6-9-27-14(13-4-5-13)10-15(25-27)18(20,21)22/h10,13H,3-9H2,1-2H3,(H,23,28)
InChIKeyIMZSXSXCTRKTDJ-UHFFFAOYSA-N
XLogP3.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19563954
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19523153
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563995
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555876
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
1-butyl-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 19334007
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279711
4-bromo-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4769624
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555573
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283142
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]propanamide
CID 19535194

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19563996) is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1nn(CCCNC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c(C)c1Br.
What is the InChIKey of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is IMZSXSXCTRKTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrF3N5O/c1-11-17(19)12(2)26(24-11)8-3-7-23-16(28)6-9-27-14(13-4-5-13)10-15(25-27)18(20,21)22/h10,13H,3-9H2,1-2H3,(H,23,28).
What are the key properties of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 462.31 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19563996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).