3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide

C11H13N5O2 — CID 60975575

IUPAC3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCc2ccn[nH]2)c1C
InChIInChI=1S/C11H13N5O2/c1-6-7(2)14-16-11(18)9(6)10(17)12-5-8-3-4-13-15-8/h3-4H,5H2,1-2H3,(H,12,17)(H,13,15)(H,16,18)
InChIKeyFPXOKFQUTQJQQX-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.04
Rot. Bonds3

About 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide

3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide (PubChem CID 60975575) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
PubChem CID60975575
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCc2ccn[nH]2)c1C
InChIInChI=1S/C11H13N5O2/c1-6-7(2)14-16-11(18)9(6)10(17)12-5-8-3-4-13-15-8/h3-4H,5H2,1-2H3,(H,12,17)(H,13,15)(H,16,18)
InChIKeyFPXOKFQUTQJQQX-UHFFFAOYSA-N
XLogP0.04
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 43428095
2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 61284718
3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide
CID 71936013
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 79777719
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
N-(2-hydroxy-3-methylbutyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 113258899
4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
CID 47235838
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 114269658

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide (CID 60975575) is 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCc2ccn[nH]2)c1C.
What is the InChIKey of 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The InChIKey is FPXOKFQUTQJQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-7(2)14-16-11(18)9(6)10(17)12-5-8-3-4-13-15-8/h3-4H,5H2,1-2H3,(H,12,17)(H,13,15)(H,16,18).
What are the key properties of 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 60975575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).