6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide

C18H17N5O2 — CID 60526390

IUPAC6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H17N5O2/c24-17-10-9-14(20-21-17)18(25)19-11-15-13-7-4-8-16(13)23(22-15)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,19,25)(H,21,24)
InChIKeyIYYORMIVKMJSHP-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.37
Rot. Bonds4

About 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide (PubChem CID 60526390) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide
PubChem CID60526390
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H17N5O2/c24-17-10-9-14(20-21-17)18(25)19-11-15-13-7-4-8-16(13)23(22-15)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,19,25)(H,21,24)
InChIKeyIYYORMIVKMJSHP-UHFFFAOYSA-N
XLogP1.37
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide (CID 60526390) is 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide is O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is IYYORMIVKMJSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17-10-9-14(20-21-17)18(25)19-11-15-13-7-4-8-16(13)23(22-15)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,19,25)(H,21,24).
What are the key properties of 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60526390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).