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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Related Compounds

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4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide
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3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
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methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate
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3-chloro-2-fluoro-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
CID 124886342
6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide
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3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
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2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
6-methyl-4-oxo-N-(1-pyridazin-3-ylpiperidin-3-yl)-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126782285
2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
CID 122137262
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 124859320

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).