1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

C17H19N7O2 — CID 118768548

IUPAC1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESCn1nc(CO)c2c1CCN(C(=O)Cc1ccc(-n3cnnn3)cc1)C2
InChIInChI=1S/C17H19N7O2/c1-22-16-6-7-23(9-14(16)15(10-25)19-22)17(26)8-12-2-4-13(5-3-12)24-11-18-20-21-24/h2-5,11,25H,6-10H2,1H3
InChIKeyCDNPZACRAZSXKR-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.02
Rot. Bonds4

About 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (PubChem CID 118768548) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
PubChem CID118768548
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESCn1nc(CO)c2c1CCN(C(=O)Cc1ccc(-n3cnnn3)cc1)C2
InChIInChI=1S/C17H19N7O2/c1-22-16-6-7-23(9-14(16)15(10-25)19-22)17(26)8-12-2-4-13(5-3-12)24-11-18-20-21-24/h2-5,11,25H,6-10H2,1H3
InChIKeyCDNPZACRAZSXKR-UHFFFAOYSA-N
XLogP0.02
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (CID 118768548) is 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is Cn1nc(CO)c2c1CCN(C(=O)Cc1ccc(-n3cnnn3)cc1)C2.
What is the InChIKey of 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The InChIKey is CDNPZACRAZSXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-22-16-6-7-23(9-14(16)15(10-25)19-22)17(26)8-12-2-4-13(5-3-12)24-11-18-20-21-24/h2-5,11,25H,6-10H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone has a molecular weight of 353.39 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 118768548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).