2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide

C19H20N6O — CID 124883211

IUPAC2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccnn1-c1ccccc1
InChIInChI=1S/C19H20N6O/c26-19(17-10-12-21-25(17)16-7-2-1-3-8-16)22-15-6-5-13-24(14-15)18-9-4-11-20-23-18/h1-4,7-12,15H,5-6,13-14H2,(H,22,26)/t15-/m1/s1
InChIKeyDCEJKPLHNYVNCY-OAHLLOKOSA-N
MW348.41 g/mol
LogP2.06
Rot. Bonds4

About 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide

2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 124883211) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide
PubChem CID124883211
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccnn1-c1ccccc1
InChIInChI=1S/C19H20N6O/c26-19(17-10-12-21-25(17)16-7-2-1-3-8-16)22-15-6-5-13-24(14-15)18-9-4-11-20-23-18/h1-4,7-12,15H,5-6,13-14H2,(H,22,26)/t15-/m1/s1
InChIKeyDCEJKPLHNYVNCY-OAHLLOKOSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide (CID 124883211) is 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide is O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is DCEJKPLHNYVNCY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(17-10-12-21-25(17)16-7-2-1-3-8-16)22-15-6-5-13-24(14-15)18-9-4-11-20-23-18/h1-4,7-12,15H,5-6,13-14H2,(H,22,26)/t15-/m1/s1.
What are the key properties of 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide?
2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 124883211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).