5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C19H19F3N8 — CID 178158353

IUPAC5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3cc([C@H]4C[C@@H]4c4cnn(CC(F)(F)F)c4)nn3C)nc2n1
InChIInChI=1S/C19H19F3N8/c1-10-4-11(2)30-18(24-10)25-17(27-30)16-6-15(26-28(16)3)14-5-13(14)12-7-23-29(8-12)9-19(20,21)22/h4,6-8,13-14H,5,9H2,1-3H3/t13-,14+/m1/s1
InChIKeyHVAOZQVBZWCBSG-KGLIPLIRSA-N
MW416.41 g/mol
LogP3.17
Rot. Bonds4

About 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 178158353) has the molecular formula C19H19F3N8 and a molecular weight of 416.41 g/mol. Its IUPAC name is 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID178158353
Molecular FormulaC19H19F3N8
Molecular Weight416.41 g/mol
Exact Mass416.17
IUPAC Name5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3cc([C@H]4C[C@@H]4c4cnn(CC(F)(F)F)c4)nn3C)nc2n1
InChIInChI=1S/C19H19F3N8/c1-10-4-11(2)30-18(24-10)25-17(27-30)16-6-15(26-28(16)3)14-5-13(14)12-7-23-29(8-12)9-19(20,21)22/h4,6-8,13-14H,5,9H2,1-3H3/t13-,14+/m1/s1
InChIKeyHVAOZQVBZWCBSG-KGLIPLIRSA-N
XLogP3.17
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 178158353) is 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3cc([C@H]4C[C@@H]4c4cnn(CC(F)(F)F)c4)nn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HVAOZQVBZWCBSG-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H19F3N8/c1-10-4-11(2)30-18(24-10)25-17(27-30)16-6-15(26-28(16)3)14-5-13(14)12-7-23-29(8-12)9-19(20,21)22/h4,6-8,13-14H,5,9H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 416.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[1-methyl-3-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 178158353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).