6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide

C19H21ClN6O2 — CID 71525354

IUPAC6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(CO)Cc3ccc(Cl)cc3)nn2)n(C)n1
InChIInChI=1S/C19H21ClN6O2/c1-12-9-18(26(2)25-12)22-19(28)16-7-8-17(24-23-16)21-15(11-27)10-13-3-5-14(20)6-4-13/h3-9,15,27H,10-11H2,1-2H3,(H,21,24)(H,22,28)
InChIKeyGXODOWMIXRAYDP-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.44
Rot. Bonds7

About 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide

6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide (PubChem CID 71525354) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide
PubChem CID71525354
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(CO)Cc3ccc(Cl)cc3)nn2)n(C)n1
InChIInChI=1S/C19H21ClN6O2/c1-12-9-18(26(2)25-12)22-19(28)16-7-8-17(24-23-16)21-15(11-27)10-13-3-5-14(20)6-4-13/h3-9,15,27H,10-11H2,1-2H3,(H,21,24)(H,22,28)
InChIKeyGXODOWMIXRAYDP-UHFFFAOYSA-N
XLogP2.44
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide (CID 71525354) is 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(NC(CO)Cc3ccc(Cl)cc3)nn2)n(C)n1.
What is the InChIKey of 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide?
The InChIKey is GXODOWMIXRAYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-12-9-18(26(2)25-12)22-19(28)16-7-8-17(24-23-16)21-15(11-27)10-13-3-5-14(20)6-4-13/h3-9,15,27H,10-11H2,1-2H3,(H,21,24)(H,22,28).
What are the key properties of 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide?
6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71525354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).