(Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine

C21H25BrF3N7 — CID 143228521

IUPAC(Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine
SMILESC=C(Br)C(N(C)/C=C\CC)n1nccc1Cc1ncn2nc(C(F)(F)F)nc2c1CCC
InChIInChI=1S/C21H25BrF3N7/c1-5-7-11-30(4)19(14(3)22)32-15(9-10-27-32)12-17-16(8-6-2)18-28-20(21(23,24)25)29-31(18)13-26-17/h7,9-11,13,19H,3,5-6,8,12H2,1-2,4H3/b11-7-
InChIKeyCJODBPQEXCDJLH-XFFZJAGNSA-N
MW512.38 g/mol
LogP5.15
Rot. Bonds9

About (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine

(Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine (PubChem CID 143228521) has the molecular formula C21H25BrF3N7 and a molecular weight of 512.38 g/mol. Its IUPAC name is (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine
PubChem CID143228521
Molecular FormulaC21H25BrF3N7
Molecular Weight512.38 g/mol
Exact Mass511.13
IUPAC Name(Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine
SMILESC=C(Br)C(N(C)/C=C\CC)n1nccc1Cc1ncn2nc(C(F)(F)F)nc2c1CCC
InChIInChI=1S/C21H25BrF3N7/c1-5-7-11-30(4)19(14(3)22)32-15(9-10-27-32)12-17-16(8-6-2)18-28-20(21(23,24)25)29-31(18)13-26-17/h7,9-11,13,19H,3,5-6,8,12H2,1-2,4H3/b11-7-
InChIKeyCJODBPQEXCDJLH-XFFZJAGNSA-N
XLogP5.15
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine with MolForge

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Related Compounds

2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
2,3,6-Trimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201421
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 168269448
4-(azetidin-1-yl)-1-methyl-3-{1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-4-yl}-1H-pyrazolo[3,4-d]pyrimidine
CID 71114298
4-(Azetidin-1-yl)-1-methyl-3-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[3,4-d]pyrimidine
CID 71488864
4-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767128
US11583532, Example 23.1
CID 148667420
US11583532, Example 23.4
CID 155792461
[3-(5-Fluoro-3-methyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
CID 44392644
[2,5-Dimethyl-3-(3-methyl-pyridin-2-yl)-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
CID 44392740
4-(Azetidin-1-yl)-3-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1-(tritritiomethyl)pyrazolo[5,4-d]pyrimidine
CID 137660655
5-Methyl-7-(3-phenylpyrrolidin-1-yl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 168269293

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine?
The IUPAC name of (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine (CID 143228521) is (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine is C=C(Br)C(N(C)/C=C\CC)n1nccc1Cc1ncn2nc(C(F)(F)F)nc2c1CCC.
What is the InChIKey of (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine?
The InChIKey is CJODBPQEXCDJLH-XFFZJAGNSA-N. The full InChI is InChI=1S/C21H25BrF3N7/c1-5-7-11-30(4)19(14(3)22)32-15(9-10-27-32)12-17-16(8-6-2)18-28-20(21(23,24)25)29-31(18)13-26-17/h7,9-11,13,19H,3,5-6,8,12H2,1-2,4H3/b11-7-.
What are the key properties of (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine?
(Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine has a molecular weight of 512.38 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-bromo-1-[5-[[8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]prop-2-enyl]-N-methylbut-1-en-1-amine is sourced from PubChem (CID 143228521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).