3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide

C24H21BrF3N5O — CID 19556334

IUPAC3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C24H21BrF3N5O/c25-21-22(16-8-9-16)33(31-23(21)24(26,27)28)13-11-20(34)29-19-10-12-32(30-19)14-17-6-3-5-15-4-1-2-7-18(15)17/h1-7,10,12,16H,8-9,11,13-14H2,(H,29,30,34)
InChIKeyGFHQCZTUVOICTH-UHFFFAOYSA-N
MW532.36 g/mol
LogP5.97
Rot. Bonds7

About 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide

3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 19556334) has the molecular formula C24H21BrF3N5O and a molecular weight of 532.36 g/mol. Its IUPAC name is 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID19556334
Molecular FormulaC24H21BrF3N5O
Molecular Weight532.36 g/mol
Exact Mass531.09
IUPAC Name3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C24H21BrF3N5O/c25-21-22(16-8-9-16)33(31-23(21)24(26,27)28)13-11-20(34)29-19-10-12-32(30-19)14-17-6-3-5-15-4-1-2-7-18(15)17/h1-7,10,12,16H,8-9,11,13-14H2,(H,29,30,34)
InChIKeyGFHQCZTUVOICTH-UHFFFAOYSA-N
XLogP5.97
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.36
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19399017
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19556174
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19550222
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19523006
N-[4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19556420
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19556366
3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19552110
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-(2-benzoyl-4-chlorophenyl)-3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19556205
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19520081
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19556244

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (CID 19556334) is 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is O=C(CCn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccn(Cc2cccc3ccccc23)n1.
What is the InChIKey of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is GFHQCZTUVOICTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrF3N5O/c25-21-22(16-8-9-16)33(31-23(21)24(26,27)28)13-11-20(34)29-19-10-12-32(30-19)14-17-6-3-5-15-4-1-2-7-18(15)17/h1-7,10,12,16H,8-9,11,13-14H2,(H,29,30,34).
What are the key properties of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 532.36 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 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-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 19556334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).