N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide

C19H20N6O2 — CID 154847839

IUPACN,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CC(c3cccnc3)C2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C19H20N6O2/c1-12-16(11-21-25(12)17-5-6-18(26)23-22-17)19(27)24(2)15-8-14(9-15)13-4-3-7-20-10-13/h3-7,10-11,14-15H,8-9H2,1-2H3,(H,23,26)
InChIKeyMSOSMZHWJKBHKW-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.68
Rot. Bonds4

About N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide

N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide (PubChem CID 154847839) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide
PubChem CID154847839
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CC(c3cccnc3)C2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C19H20N6O2/c1-12-16(11-21-25(12)17-5-6-18(26)23-22-17)19(27)24(2)15-8-14(9-15)13-4-3-7-20-10-13/h3-7,10-11,14-15H,8-9H2,1-2H3,(H,23,26)
InChIKeyMSOSMZHWJKBHKW-UHFFFAOYSA-N
XLogP1.68
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide (CID 154847839) is N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)C2CC(c3cccnc3)C2)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide?
The InChIKey is MSOSMZHWJKBHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-16(11-21-25(12)17-5-6-18(26)23-22-17)19(27)24(2)15-8-14(9-15)13-4-3-7-20-10-13/h3-7,10-11,14-15H,8-9H2,1-2H3,(H,23,26).
What are the key properties of N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide?
N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154847839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).