3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

C20H23N5O — CID 53185469

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)n1
InChIInChI=1S/C20H23N5O/c1-14-12-15(2)25(23-14)11-9-19(26)24-10-8-18-17(13-24)20(22-21-18)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,22)
InChIKeySBPILFGTPZZQBS-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.87
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one (PubChem CID 53185469) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
PubChem CID53185469
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)n1
InChIInChI=1S/C20H23N5O/c1-14-12-15(2)25(23-14)11-9-19(26)24-10-8-18-17(13-24)20(22-21-18)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,22)
InChIKeySBPILFGTPZZQBS-UHFFFAOYSA-N
XLogP2.87
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one (CID 53185469) is 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one is Cc1cc(C)n(CCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The InChIKey is SBPILFGTPZZQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-12-15(2)25(23-14)11-9-19(26)24-10-8-18-17(13-24)20(22-21-18)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,22).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one has a molecular weight of 349.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 53185469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).