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

C16H21N5O2 — CID 126934286

IUPAC1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(n3ncccc3=O)CC2)nn1C
InChIInChI=1S/C16H21N5O2/c1-11-10-14(19-20(11)2)16(23)18-12-5-7-13(8-6-12)21-15(22)4-3-9-17-21/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,18,23)
InChIKeyJEWJGWGQLRENEB-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.20
Rot. Bonds3

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

1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide (PubChem CID 126934286) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
PubChem CID126934286
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(n3ncccc3=O)CC2)nn1C
InChIInChI=1S/C16H21N5O2/c1-11-10-14(19-20(11)2)16(23)18-12-5-7-13(8-6-12)21-15(22)4-3-9-17-21/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,18,23)
InChIKeyJEWJGWGQLRENEB-UHFFFAOYSA-N
XLogP1.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-1,5-dimethylpyrazole-3-carboxamide
CID 126936914
5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 126934279
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea
CID 126934316
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 126934255
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193676
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 126936222
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45209259

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide (CID 126934286) is 1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCC(n3ncccc3=O)CC2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The InChIKey is JEWJGWGQLRENEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-10-14(19-20(11)2)16(23)18-12-5-7-13(8-6-12)21-15(22)4-3-9-17-21/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,18,23).
What are the key properties of 1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.20, 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-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide is sourced from PubChem (CID 126934286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).