3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide

C19H25BrF3N5O — CID 4769291

IUPAC3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1nc(C)c(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C
InChIInChI=1S/C19H25BrF3N5O/c1-5-27-12(3)14(11(2)24-27)10-26(4)15(29)8-9-28-17(13-6-7-13)16(20)18(25-28)19(21,22)23/h13H,5-10H2,1-4H3
InChIKeyYCRSXUUNRGFHHY-UHFFFAOYSA-N
MW476.34 g/mol
LogP4.42
Rot. Bonds7

About 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide

3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 4769291) has the molecular formula C19H25BrF3N5O and a molecular weight of 476.34 g/mol. Its IUPAC name is 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID4769291
Molecular FormulaC19H25BrF3N5O
Molecular Weight476.34 g/mol
Exact Mass475.12
IUPAC Name3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1nc(C)c(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C
InChIInChI=1S/C19H25BrF3N5O/c1-5-27-12(3)14(11(2)24-27)10-26(4)15(29)8-9-28-17(13-6-7-13)16(20)18(25-28)19(21,22)23/h13H,5-10H2,1-4H3
InChIKeyYCRSXUUNRGFHHY-UHFFFAOYSA-N
XLogP4.42
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 35294393
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone
CID 35294398
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 35294404
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4769562
(3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 164643416
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 19575604
1-[(1S,5R)-6-(3,5-diethyl-1-methylpyrazol-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2,2-trifluoroethanone
CID 59033915
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 4767716
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(pyrrolidin-1-yl)ethanone
CID 4767726
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4767854
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 4768487
1-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}-2,6-dimethylpiperidine
CID 4768529

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 4769291) is 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide is CCn1nc(C)c(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C.
What is the InChIKey of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is YCRSXUUNRGFHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrF3N5O/c1-5-27-12(3)14(11(2)24-27)10-26(4)15(29)8-9-28-17(13-6-7-13)16(20)18(25-28)19(21,22)23/h13H,5-10H2,1-4H3.
What are the key properties of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 476.34 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 4769291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).