1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C15H21N5 — CID 108773670

IUPAC1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCc1ccc(N2CCc3c(cnn3C(C)(C)C)C2)nn1
InChIInChI=1S/C15H21N5/c1-11-5-6-14(18-17-11)19-8-7-13-12(10-19)9-16-20(13)15(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeySYDVSDRVTAWCCA-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.30
Rot. Bonds1

About 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 108773670) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID108773670
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCc1ccc(N2CCc3c(cnn3C(C)(C)C)C2)nn1
InChIInChI=1S/C15H21N5/c1-11-5-6-14(18-17-11)19-8-7-13-12(10-19)9-16-20(13)15(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeySYDVSDRVTAWCCA-UHFFFAOYSA-N
XLogP2.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 108773670) is 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is Cc1ccc(N2CCc3c(cnn3C(C)(C)C)C2)nn1.
What is the InChIKey of 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is SYDVSDRVTAWCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-5-6-14(18-17-11)19-8-7-13-12(10-19)9-16-20(13)15(2,3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 271.37 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 108773670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).