1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide

C17H19N5O2 — CID 75421976

IUPAC1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2cc(CCc3ccccc3)[nH]n2)CCC1=O
InChIInChI=1S/C17H19N5O2/c1-22-16(23)10-9-14(21-22)17(24)18-15-11-13(19-20-15)8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,24)
InChIKeyHFLVOMBPDPCDJS-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.74
Rot. Bonds5

About 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 75421976) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID75421976
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2cc(CCc3ccccc3)[nH]n2)CCC1=O
InChIInChI=1S/C17H19N5O2/c1-22-16(23)10-9-14(21-22)17(24)18-15-11-13(19-20-15)8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,24)
InChIKeyHFLVOMBPDPCDJS-UHFFFAOYSA-N
XLogP1.74
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide (CID 75421976) is 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2cc(CCc3ccccc3)[nH]n2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HFLVOMBPDPCDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-22-16(23)10-9-14(21-22)17(24)18-15-11-13(19-20-15)8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,24).
What are the key properties of 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 75421976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).