3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide

C19H19BrF3N5O — CID 19561838

IUPAC3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
SMILESCc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCn1cc(Br)cn1
InChIInChI=1S/C19H19BrF3N5O/c1-12-18(25-17(29)6-7-27-11-16(20)9-24-27)13(2)28(26-12)10-14-4-3-5-15(8-14)19(21,22)23/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,25,29)
InChIKeyZVDORTBEOFNVDJ-UHFFFAOYSA-N
MW470.29 g/mol
LogP4.55
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide

3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide (PubChem CID 19561838) has the molecular formula C19H19BrF3N5O and a molecular weight of 470.29 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
PubChem CID19561838
Molecular FormulaC19H19BrF3N5O
Molecular Weight470.29 g/mol
Exact Mass469.07
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
SMILESCc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCn1cc(Br)cn1
InChIInChI=1S/C19H19BrF3N5O/c1-12-18(25-17(29)6-7-27-11-16(20)9-24-27)13(2)28(26-12)10-14-4-3-5-15(8-14)19(21,22)23/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,25,29)
InChIKeyZVDORTBEOFNVDJ-UHFFFAOYSA-N
XLogP4.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide
CID 19551439
3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 35322160
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516062
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475694
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19539568
3-(3-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19555897
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411510
1-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19344485
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19346593
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19404233
2-(4-chlorophenoxy)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19394025
1-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methylthiourea
CID 19344472

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide (CID 19561838) is 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide is Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
The InChIKey is ZVDORTBEOFNVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3N5O/c1-12-18(25-17(29)6-7-27-11-16(20)9-24-27)13(2)28(26-12)10-14-4-3-5-15(8-14)19(21,22)23/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,25,29).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide has a molecular weight of 470.29 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19561838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).