1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one

C14H23N3O2 — CID 131648412

IUPAC1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCOCC1CN(C(=O)CC(C)C)Cc2cnn(C)c21
InChIInChI=1S/C14H23N3O2/c1-10(2)5-13(18)17-7-11-6-15-16(3)14(11)12(8-17)9-19-4/h6,10,12H,5,7-9H2,1-4H3
InChIKeyOQVCLSDKECTJQL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds4

About 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one

1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one (PubChem CID 131648412) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one
PubChem CID131648412
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCOCC1CN(C(=O)CC(C)C)Cc2cnn(C)c21
InChIInChI=1S/C14H23N3O2/c1-10(2)5-13(18)17-7-11-6-15-16(3)14(11)12(8-17)9-19-4/h6,10,12H,5,7-9H2,1-4H3
InChIKeyOQVCLSDKECTJQL-UHFFFAOYSA-N
XLogP1.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one (CID 131648412) is 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one is COCC1CN(C(=O)CC(C)C)Cc2cnn(C)c21.
What is the InChIKey of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one?
The InChIKey is OQVCLSDKECTJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)5-13(18)17-7-11-6-15-16(3)14(11)12(8-17)9-19-4/h6,10,12H,5,7-9H2,1-4H3.
What are the key properties of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one?
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one is sourced from PubChem (CID 131648412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).