[2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone

C19H17ClF3N5O — CID 90456100

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCC1c2[nH]nc(-c3ccnn3C)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H17ClF3N5O/c1-10-16-12(17(26-25-16)14-6-8-24-27(14)2)7-9-28(10)18(29)11-4-3-5-13(15(11)20)19(21,22)23/h3-6,8,10H,7,9H2,1-2H3,(H,25,26)
InChIKeyBPPQGNOMZCNPAC-UHFFFAOYSA-N
MW423.83 g/mol
LogP4.24
Rot. Bonds2

About [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone

[2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 90456100) has the molecular formula C19H17ClF3N5O and a molecular weight of 423.83 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID90456100
Molecular FormulaC19H17ClF3N5O
Molecular Weight423.83 g/mol
Exact Mass423.11
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCC1c2[nH]nc(-c3ccnn3C)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H17ClF3N5O/c1-10-16-12(17(26-25-16)14-6-8-24-27(14)2)7-9-28(10)18(29)11-4-3-5-13(15(11)20)19(21,22)23/h3-6,8,10H,7,9H2,1-2H3,(H,25,26)
InChIKeyBPPQGNOMZCNPAC-UHFFFAOYSA-N
XLogP4.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone (CID 90456100) is [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone is CC1c2[nH]nc(-c3ccnn3C)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is BPPQGNOMZCNPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O/c1-10-16-12(17(26-25-16)14-6-8-24-27(14)2)7-9-28(10)18(29)11-4-3-5-13(15(11)20)19(21,22)23/h3-6,8,10H,7,9H2,1-2H3,(H,25,26).
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 423.83 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[7-methyl-3-(2-methylpyrazol-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 90456100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).