cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone

C17H23F3N4O — CID 136760535

IUPACcyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
SMILESCc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C3CC3)CC1)N2
InChIInChI=1S/C17H23F3N4O/c1-10-8-15-21-13(9-14(17(18,19)20)24(15)22-10)11-4-6-23(7-5-11)16(25)12-2-3-12/h8,11-14,21H,2-7,9H2,1H3/t13-,14+/m0/s1
InChIKeyBPLNTSAAHLHVTF-UONOGXRCSA-N
MW356.39 g/mol
LogP3.13
Rot. Bonds2

About cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone (PubChem CID 136760535) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
PubChem CID136760535
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC Namecyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
SMILESCc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C3CC3)CC1)N2
InChIInChI=1S/C17H23F3N4O/c1-10-8-15-21-13(9-14(17(18,19)20)24(15)22-10)11-4-6-23(7-5-11)16(25)12-2-3-12/h8,11-14,21H,2-7,9H2,1H3/t13-,14+/m0/s1
InChIKeyBPLNTSAAHLHVTF-UONOGXRCSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone (CID 136760535) is cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone is Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C3CC3)CC1)N2.
What is the InChIKey of cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The InChIKey is BPLNTSAAHLHVTF-UONOGXRCSA-N. The full InChI is InChI=1S/C17H23F3N4O/c1-10-8-15-21-13(9-14(17(18,19)20)24(15)22-10)11-4-6-23(7-5-11)16(25)12-2-3-12/h8,11-14,21H,2-7,9H2,1H3/t13-,14+/m0/s1.
What are the key properties of cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone has a molecular weight of 356.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 136760535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).