1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide

C17H23N5O2 — CID 126934624

IUPAC1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
SMILESCc1ccc(=O)n(C2CCC(NC(=O)c3cc(C)n(C)n3)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-11-4-9-16(23)22(19-11)14-7-5-13(6-8-14)18-17(24)15-10-12(2)21(3)20-15/h4,9-10,13-14H,5-8H2,1-3H3,(H,18,24)
InChIKeyXBIJKSFWSFCLSB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.51
Rot. Bonds3

About 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide (PubChem CID 126934624) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
PubChem CID126934624
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
SMILESCc1ccc(=O)n(C2CCC(NC(=O)c3cc(C)n(C)n3)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-11-4-9-16(23)22(19-11)14-7-5-13(6-8-14)18-17(24)15-10-12(2)21(3)20-15/h4,9-10,13-14H,5-8H2,1-3H3,(H,18,24)
InChIKeyXBIJKSFWSFCLSB-UHFFFAOYSA-N
XLogP1.51
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934286
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193676
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126934572
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126934601
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 126934650
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 126934567
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide (CID 126934624) is 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide is Cc1ccc(=O)n(C2CCC(NC(=O)c3cc(C)n(C)n3)CC2)n1.
What is the InChIKey of 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The InChIKey is XBIJKSFWSFCLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-4-9-16(23)22(19-11)14-7-5-13(6-8-14)18-17(24)15-10-12(2)21(3)20-15/h4,9-10,13-14H,5-8H2,1-3H3,(H,18,24).
What are the key properties of 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide is sourced from PubChem (CID 126934624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).