1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone

C15H14F3N7O — CID 95797653

IUPAC1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C15H14F3N7O/c16-15(17,18)13-21-14-19-5-2-11(25(14)23-13)9-3-7-24(8-4-9)12(26)10-1-6-20-22-10/h1-2,5-6,9H,3-4,7-8H2,(H,20,22)
InChIKeyBUHJDENCBCJRKV-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.89
Rot. Bonds2

About 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone

1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone (PubChem CID 95797653) has the molecular formula C15H14F3N7O and a molecular weight of 365.32 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
PubChem CID95797653
Molecular FormulaC15H14F3N7O
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC Name1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C15H14F3N7O/c16-15(17,18)13-21-14-19-5-2-11(25(14)23-13)9-3-7-24(8-4-9)12(26)10-1-6-20-22-10/h1-2,5-6,9H,3-4,7-8H2,(H,20,22)
InChIKeyBUHJDENCBCJRKV-UHFFFAOYSA-N
XLogP1.89
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-tert-butyl-3-methylfuran-2-yl)-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 46950426
1-[1-oxo-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-2-yl]pyrrolidin-2-one
CID 16669536
(4-amino-5-chloro-2-methoxyphenyl)-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 46950428
3-(2-methylbenzimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
CID 46950424
3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
CID 95797657
[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 175791183
7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
CID 46737117
2-thiophen-3-yl-1-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 110214093
2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide
CID 98065966
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 155981275
[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 92623082

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone (CID 95797653) is 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1.
What is the InChIKey of 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The InChIKey is BUHJDENCBCJRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O/c16-15(17,18)13-21-14-19-5-2-11(25(14)23-13)9-3-7-24(8-4-9)12(26)10-1-6-20-22-10/h1-2,5-6,9H,3-4,7-8H2,(H,20,22).
What are the key properties of 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone has a molecular weight of 365.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95797653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).