5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C18H15BrClF3N4 — CID 91554610

IUPAC5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(Cl)c(N3CCCCC3)nn12
InChIInChI=1S/C18H15BrClF3N4/c19-12-6-4-11(5-7-12)13-10-14(18(21,22)23)27-16(24-13)15(20)17(25-27)26-8-2-1-3-9-26/h4-7,10H,1-3,8-9H2
InChIKeyRSNJBHQFYGJVCB-UHFFFAOYSA-N
MW459.70 g/mol
LogP5.82
Rot. Bonds2

About 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 91554610) has the molecular formula C18H15BrClF3N4 and a molecular weight of 459.70 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID91554610
Molecular FormulaC18H15BrClF3N4
Molecular Weight459.70 g/mol
Exact Mass458.01
IUPAC Name5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(Cl)c(N3CCCCC3)nn12
InChIInChI=1S/C18H15BrClF3N4/c19-12-6-4-11(5-7-12)13-10-14(18(21,22)23)27-16(24-13)15(20)17(25-27)26-8-2-1-3-9-26/h4-7,10H,1-3,8-9H2
InChIKeyRSNJBHQFYGJVCB-UHFFFAOYSA-N
XLogP5.82
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.70
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1111276
[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
CID 1113830
2-[[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 67132717
5-(4-bromophenyl)-3-chloro-N-[(3S)-3-methylpent-1-yn-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1262200
3-bromo-5-(3,4-dichlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 19580450
5-(4-bromophenyl)-2-(phenoxymethyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 118986635
[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
CID 1113843
3-chloro-N-(cyclohexylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 68960021
3-bromo-5-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111280
3-[(4-bromophenyl)diazenyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 168665549
[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1113825
3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2842283

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 91554610) is 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(Cl)c(N3CCCCC3)nn12.
What is the InChIKey of 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RSNJBHQFYGJVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClF3N4/c19-12-6-4-11(5-7-12)13-10-14(18(21,22)23)27-16(24-13)15(20)17(25-27)26-8-2-1-3-9-26/h4-7,10H,1-3,8-9H2.
What are the key properties of 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 459.70 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-chloro-2-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91554610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).