5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one

C18H21N3O2 — CID 131984825

IUPAC5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one
SMILESCCCn1ncc2c(=O)n(Cc3ccc(OC)cc3)c(C)cc21
InChIInChI=1S/C18H21N3O2/c1-4-9-21-17-10-13(2)20(18(22)16(17)11-19-21)12-14-5-7-15(23-3)8-6-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyGMPCYHZOARRAOF-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.97
Rot. Bonds5

About 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one

5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984825) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one
PubChem CID131984825
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one
SMILESCCCn1ncc2c(=O)n(Cc3ccc(OC)cc3)c(C)cc21
InChIInChI=1S/C18H21N3O2/c1-4-9-21-17-10-13(2)20(18(22)16(17)11-19-21)12-14-5-7-15(23-3)8-6-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyGMPCYHZOARRAOF-UHFFFAOYSA-N
XLogP2.97
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methoxyphenyl)-ethyl]piperazin-1-yl}methanone
CID 24811073
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
US10138229, Example 29
CID 89968957
US10364238, Example 64
CID 121365036

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one (CID 131984825) is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one is CCCn1ncc2c(=O)n(Cc3ccc(OC)cc3)c(C)cc21.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is GMPCYHZOARRAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-9-21-17-10-13(2)20(18(22)16(17)11-19-21)12-14-5-7-15(23-3)8-6-14/h5-8,10-11H,4,9,12H2,1-3H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one?
5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one has a molecular weight of 311.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-propylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).