N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H24N6O3 — CID 126936877

IUPACN-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(NC(=O)c4cnoc4C)CC3)n2)n1
InChIInChI=1S/C20H24N6O3/c1-12-10-13(2)25(23-12)18-8-9-19(27)26(24-18)16-6-4-15(5-7-16)22-20(28)17-11-21-29-14(17)3/h8-11,15-16H,4-7H2,1-3H3,(H,22,28)
InChIKeyPXSMVFCUKGCXIR-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.26
Rot. Bonds4

About N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 126936877) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID126936877
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(NC(=O)c4cnoc4C)CC3)n2)n1
InChIInChI=1S/C20H24N6O3/c1-12-10-13(2)25(23-12)18-8-9-19(27)26(24-18)16-6-4-15(5-7-16)22-20(28)17-11-21-29-14(17)3/h8-11,15-16H,4-7H2,1-3H3,(H,22,28)
InChIKeyPXSMVFCUKGCXIR-UHFFFAOYSA-N
XLogP2.26
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 126936914
2-[4-(cyclobutylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937029
1-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-3-(oxolan-2-ylmethyl)urea
CID 126936889
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936965
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937133
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one
CID 126937014
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-methylfuran-2-yl)methylamino]cyclohexyl]pyridazin-3-one
CID 126937016
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]morpholine-4-sulfonamide
CID 126936949
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937019
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937030
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one
CID 126937042
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937040

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 126936877) is N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(C)n(-c2ccc(=O)n(C3CCC(NC(=O)c4cnoc4C)CC3)n2)n1.
What is the InChIKey of N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PXSMVFCUKGCXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-12-10-13(2)25(23-12)18-8-9-19(27)26(24-18)16-6-4-15(5-7-16)22-20(28)17-11-21-29-14(17)3/h8-11,15-16H,4-7H2,1-3H3,(H,22,28).
What are the key properties of N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126936877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).