N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide

C13H17N5O2 — CID 49217836

IUPACN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)Cc1cc(NC(=O)c2ccc(=O)[nH]n2)n(C)n1
InChIInChI=1S/C13H17N5O2/c1-8(2)6-9-7-11(18(3)17-9)14-13(20)10-4-5-12(19)16-15-10/h4-5,7-8H,6H2,1-3H3,(H,14,20)(H,16,19)
InChIKeyFDWBUCOVUMYNLQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.95
Rot. Bonds4

About N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 49217836) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID49217836
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)Cc1cc(NC(=O)c2ccc(=O)[nH]n2)n(C)n1
InChIInChI=1S/C13H17N5O2/c1-8(2)6-9-7-11(18(3)17-9)14-13(20)10-4-5-12(19)16-15-10/h4-5,7-8H,6H2,1-3H3,(H,14,20)(H,16,19)
InChIKeyFDWBUCOVUMYNLQ-UHFFFAOYSA-N
XLogP0.95
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 49217836) is N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide is CC(C)Cc1cc(NC(=O)c2ccc(=O)[nH]n2)n(C)n1.
What is the InChIKey of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FDWBUCOVUMYNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)6-9-7-11(18(3)17-9)14-13(20)10-4-5-12(19)16-15-10/h4-5,7-8H,6H2,1-3H3,(H,14,20)(H,16,19).
What are the key properties of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 49217836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).