5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H16F3N5O — CID 95851104

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1n[nH]c(C)c1Cc1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H16F3N5O/c1-10-14(11(2)25-24-10)8-13-9-15(28)27-18(23-13)16(12-6-4-3-5-7-12)17(26-27)19(20,21)22/h3-7,9,26H,8H2,1-2H3,(H,24,25)
InChIKeyUTAIMXGOXHZFTK-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.64
Rot. Bonds3

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 95851104) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID95851104
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1n[nH]c(C)c1Cc1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H16F3N5O/c1-10-14(11(2)25-24-10)8-13-9-15(28)27-18(23-13)16(12-6-4-3-5-7-12)17(26-27)19(20,21)22/h3-7,9,26H,8H2,1-2H3,(H,24,25)
InChIKeyUTAIMXGOXHZFTK-UHFFFAOYSA-N
XLogP3.64
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 95851104) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1n[nH]c(C)c1Cc1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccccc3)c2n1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UTAIMXGOXHZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-10-14(11(2)25-24-10)8-13-9-15(28)27-18(23-13)16(12-6-4-3-5-7-12)17(26-27)19(20,21)22/h3-7,9,26H,8H2,1-2H3,(H,24,25).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 387.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 95851104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).