6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C20H23N5O — CID 71926440

IUPAC6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C)n1nc2c(cc1=O)CN(Cc1ccn(-c3ccccc3)n1)CC2
InChIInChI=1S/C20H23N5O/c1-15(2)25-20(26)12-16-13-23(10-9-19(16)22-25)14-17-8-11-24(21-17)18-6-4-3-5-7-18/h3-8,11-12,15H,9-10,13-14H2,1-2H3
InChIKeyISKCNOLPWUCXNI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.57
Rot. Bonds4

About 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 71926440) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID71926440
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C)n1nc2c(cc1=O)CN(Cc1ccn(-c3ccccc3)n1)CC2
InChIInChI=1S/C20H23N5O/c1-15(2)25-20(26)12-16-13-23(10-9-19(16)22-25)14-17-8-11-24(21-17)18-6-4-3-5-7-18/h3-8,11-12,15H,9-10,13-14H2,1-2H3
InChIKeyISKCNOLPWUCXNI-UHFFFAOYSA-N
XLogP2.57
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 71926440) is 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CC(C)n1nc2c(cc1=O)CN(Cc1ccn(-c3ccccc3)n1)CC2.
What is the InChIKey of 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is ISKCNOLPWUCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(2)25-20(26)12-16-13-23(10-9-19(16)22-25)14-17-8-11-24(21-17)18-6-4-3-5-7-18/h3-8,11-12,15H,9-10,13-14H2,1-2H3.
What are the key properties of 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 349.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 71926440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).