5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

C18H17F3N4O — CID 122663654

IUPAC5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)C1NN2C=NC(C(F)(F)F)=CC2=C1c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H17F3N4O/c1-9(2)17-16(10-3-4-12-11(5-10)6-15(26)23-12)13-7-14(18(19,20)21)22-8-25(13)24-17/h3-5,7-9,17,24H,6H2,1-2H3,(H,23,26)
InChIKeyNFPYHOZCMVWJJQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.23
Rot. Bonds2

About 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122663654) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122663654
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESCC(C)C1NN2C=NC(C(F)(F)F)=CC2=C1c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H17F3N4O/c1-9(2)17-16(10-3-4-12-11(5-10)6-15(26)23-12)13-7-14(18(19,20)21)22-8-25(13)24-17/h3-5,7-9,17,24H,6H2,1-2H3,(H,23,26)
InChIKeyNFPYHOZCMVWJJQ-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (CID 122663654) is 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is CC(C)C1NN2C=NC(C(F)(F)F)=CC2=C1c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is NFPYHOZCMVWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-9(2)17-16(10-3-4-12-11(5-10)6-15(26)23-12)13-7-14(18(19,20)21)22-8-25(13)24-17/h3-5,7-9,17,24H,6H2,1-2H3,(H,23,26).
What are the key properties of 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 362.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122663654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).