N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide

C21H24N6O2 — CID 121027957

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(N3CCCCC3)nn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H24N6O2/c1-15-19(21(29)27(25(15)2)16-9-5-3-6-10-16)22-20(28)17-11-12-18(24-23-17)26-13-7-4-8-14-26/h3,5-6,9-12H,4,7-8,13-14H2,1-2H3,(H,22,28)
InChIKeyOYDFDGJIOOAAAM-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.52
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027957) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID121027957
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(N3CCCCC3)nn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H24N6O2/c1-15-19(21(29)27(25(15)2)16-9-5-3-6-10-16)22-20(28)17-11-12-18(24-23-17)26-13-7-4-8-14-26/h3,5-6,9-12H,4,7-8,13-14H2,1-2H3,(H,22,28)
InChIKeyOYDFDGJIOOAAAM-UHFFFAOYSA-N
XLogP2.52
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601107
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azocane-1-carbothioamide
CID 23771135
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2992617
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxamide
CID 136734247

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide (CID 121027957) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide is Cc1c(NC(=O)c2ccc(N3CCCCC3)nn2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is OYDFDGJIOOAAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-19(21(29)27(25(15)2)16-9-5-3-6-10-16)22-20(28)17-11-12-18(24-23-17)26-13-7-4-8-14-26/h3,5-6,9-12H,4,7-8,13-14H2,1-2H3,(H,22,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).