2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile

C15H20N6O — CID 97405721

IUPAC2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile
SMILESCn1cc(CN2CCc3c(c(COCC#N)nn3C)C2)cn1
InChIInChI=1S/C15H20N6O/c1-19-8-12(7-17-19)9-21-5-3-15-13(10-21)14(18-20(15)2)11-22-6-4-16/h7-8H,3,5-6,9-11H2,1-2H3
InChIKeyVQRHVYXLBZQYQL-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.75
Rot. Bonds5

About 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile

2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile (PubChem CID 97405721) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile.

Molecular Properties

Compound Name2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile
PubChem CID97405721
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile
SMILESCn1cc(CN2CCc3c(c(COCC#N)nn3C)C2)cn1
InChIInChI=1S/C15H20N6O/c1-19-8-12(7-17-19)9-21-5-3-15-13(10-21)14(18-20(15)2)11-22-6-4-16/h7-8H,3,5-6,9-11H2,1-2H3
InChIKeyVQRHVYXLBZQYQL-UHFFFAOYSA-N
XLogP0.75
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile?
The IUPAC name of 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile (CID 97405721) is 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile.
What is the SMILES notation for 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile?
The canonical SMILES for 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile is Cn1cc(CN2CCc3c(c(COCC#N)nn3C)C2)cn1.
What is the InChIKey of 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile?
The InChIKey is VQRHVYXLBZQYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-19-8-12(7-17-19)9-21-5-3-15-13(10-21)14(18-20(15)2)11-22-6-4-16/h7-8H,3,5-6,9-11H2,1-2H3.
What are the key properties of 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile?
2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile has a molecular weight of 300.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methoxy]acetonitrile is sourced from PubChem (CID 97405721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).