1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide

C20H25N5O2 — CID 60540374

IUPAC1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N(Cc3cnn(C)c3)C(C)C)CCC2=O)c1
InChIInChI=1S/C20H25N5O2/c1-14(2)24(13-16-11-21-23(4)12-16)20(27)18-8-9-19(26)25(22-18)17-7-5-6-15(3)10-17/h5-7,10-12,14H,8-9,13H2,1-4H3
InChIKeyMDGPRGYOHBUDCY-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.65
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide

1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60540374) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
PubChem CID60540374
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N(Cc3cnn(C)c3)C(C)C)CCC2=O)c1
InChIInChI=1S/C20H25N5O2/c1-14(2)24(13-16-11-21-23(4)12-16)20(27)18-8-9-19(26)25(22-18)17-7-5-6-15(3)10-17/h5-7,10-12,14H,8-9,13H2,1-4H3
InChIKeyMDGPRGYOHBUDCY-UHFFFAOYSA-N
XLogP2.65
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide (CID 60540374) is 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)N(Cc3cnn(C)c3)C(C)C)CCC2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is MDGPRGYOHBUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(2)24(13-16-11-21-23(4)12-16)20(27)18-8-9-19(26)25(22-18)17-7-5-6-15(3)10-17/h5-7,10-12,14H,8-9,13H2,1-4H3.
What are the key properties of 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?
1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60540374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).