N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C19H19BrF3N5O — CID 19394654

IUPACN-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1ccc(Cn2cc(Br)c(NC(=O)C(C)n3nc(C(F)(F)F)cc3C)n2)cc1
InChIInChI=1S/C19H19BrF3N5O/c1-11-4-6-14(7-5-11)9-27-10-15(20)17(26-27)24-18(29)13(3)28-12(2)8-16(25-28)19(21,22)23/h4-8,10,13H,9H2,1-3H3,(H,24,26,29)
InChIKeyGZLQXHCTMXHQPB-UHFFFAOYSA-N
MW470.29 g/mol
LogP4.73
Rot. Bonds5

About N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19394654) has the molecular formula C19H19BrF3N5O and a molecular weight of 470.29 g/mol. Its IUPAC name is N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19394654
Molecular FormulaC19H19BrF3N5O
Molecular Weight470.29 g/mol
Exact Mass469.07
IUPAC NameN-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1ccc(Cn2cc(Br)c(NC(=O)C(C)n3nc(C(F)(F)F)cc3C)n2)cc1
InChIInChI=1S/C19H19BrF3N5O/c1-11-4-6-14(7-5-11)9-27-10-15(20)17(26-27)24-18(29)13(3)28-12(2)8-16(25-28)19(21,22)23/h4-8,10,13H,9H2,1-3H3,(H,24,26,29)
InChIKeyGZLQXHCTMXHQPB-UHFFFAOYSA-N
XLogP4.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19347287
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19394631
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19394748
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19284413
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563629
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535075
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19282862
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]benzoic acid
CID 51388427
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7026272
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19347331
1-[1-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505037

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19394654) is N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1ccc(Cn2cc(Br)c(NC(=O)C(C)n3nc(C(F)(F)F)cc3C)n2)cc1.
What is the InChIKey of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is GZLQXHCTMXHQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3N5O/c1-11-4-6-14(7-5-11)9-27-10-15(20)17(26-27)24-18(29)13(3)28-12(2)8-16(25-28)19(21,22)23/h4-8,10,13H,9H2,1-3H3,(H,24,26,29).
What are the key properties of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 470.29 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19394654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).