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

C21H27N7O2 — CID 126936914

IUPACN-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(NC(=O)c4cc(C)n(C)n4)CC3)n2)n1
InChIInChI=1S/C21H27N7O2/c1-13-11-15(3)27(23-13)19-9-10-20(29)28(25-19)17-7-5-16(6-8-17)22-21(30)18-12-14(2)26(4)24-18/h9-12,16-17H,5-8H2,1-4H3,(H,22,30)
InChIKeyFHTADXONSPZAOU-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.00
Rot. Bonds4

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

N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 126936914) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID126936914
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(NC(=O)c4cc(C)n(C)n4)CC3)n2)n1
InChIInChI=1S/C21H27N7O2/c1-13-11-15(3)27(23-13)19-9-10-20(29)28(25-19)17-7-5-16(6-8-17)22-21(30)18-12-14(2)26(4)24-18/h9-12,16-17H,5-8H2,1-4H3,(H,22,30)
InChIKeyFHTADXONSPZAOU-UHFFFAOYSA-N
XLogP2.00
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 126936877
1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934286
2-[4-(cyclobutylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937029
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
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-(2-phenylethylamino)cyclohexyl]pyridazin-3-one
CID 126937014
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936965
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-[(5-methylfuran-2-yl)methylamino]cyclohexyl]pyridazin-3-one
CID 126937016
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]morpholine-4-sulfonamide
CID 126936949

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide (CID 126936914) is N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C)n(-c2ccc(=O)n(C3CCC(NC(=O)c4cc(C)n(C)n4)CC3)n2)n1.
What is the InChIKey of N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is FHTADXONSPZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-13-11-15(3)27(23-13)19-9-10-20(29)28(25-19)17-7-5-16(6-8-17)22-21(30)18-12-14(2)26(4)24-18/h9-12,16-17H,5-8H2,1-4H3,(H,22,30).
What are the key properties of N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.00, 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]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 126936914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).