(2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone

C17H15Cl2N5O — CID 90408765

IUPAC(2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCC1Cc2c(-c3ccn[nH]3)n[nH]c2CN1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O/c1-9-6-12-15(22-23-16(12)14-4-5-20-21-14)8-24(9)17(25)11-3-2-10(18)7-13(11)19/h2-5,7,9H,6,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyFUAHXPOLIQFMHJ-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.69
Rot. Bonds2

About (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone

(2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 90408765) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID90408765
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name(2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCC1Cc2c(-c3ccn[nH]3)n[nH]c2CN1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O/c1-9-6-12-15(22-23-16(12)14-4-5-20-21-14)8-24(9)17(25)11-3-2-10(18)7-13(11)19/h2-5,7,9H,6,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyFUAHXPOLIQFMHJ-UHFFFAOYSA-N
XLogP3.69
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone (CID 90408765) is (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone is CC1Cc2c(-c3ccn[nH]3)n[nH]c2CN1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is FUAHXPOLIQFMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-9-6-12-15(22-23-16(12)14-4-5-20-21-14)8-24(9)17(25)11-3-2-10(18)7-13(11)19/h2-5,7,9H,6,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
(2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 376.25 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 90408765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).