N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

C20H30N6O2 — CID 25354223

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2(N(C)C)CCCCCC2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C20H30N6O2/c1-4-16-15(13-22-26(16)17-9-10-18(27)24-23-17)19(28)21-14-20(25(2)3)11-7-5-6-8-12-20/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,21,28)(H,24,27)
InChIKeySGYKXDDOUAXPIY-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.90
Rot. Bonds6

About N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 25354223) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID25354223
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2(N(C)C)CCCCCC2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C20H30N6O2/c1-4-16-15(13-22-26(16)17-9-10-18(27)24-23-17)19(28)21-14-20(25(2)3)11-7-5-6-8-12-20/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,21,28)(H,24,27)
InChIKeySGYKXDDOUAXPIY-UHFFFAOYSA-N
XLogP1.90
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 25354223) is N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NCC2(N(C)C)CCCCCC2)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is SGYKXDDOUAXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-4-16-15(13-22-26(16)17-9-10-18(27)24-23-17)19(28)21-14-20(25(2)3)11-7-5-6-8-12-20/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,21,28)(H,24,27).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 25354223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).