4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide

C19H21N5O2 — CID 125437307

IUPAC4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1)c1ccnn1C
InChIInChI=1S/C19H21N5O2/c1-4-15(17-11-12-20-23(17)2)21-19(26)14-7-5-13(6-8-14)16-9-10-18(25)24(3)22-16/h5-12,15H,4H2,1-3H3,(H,21,26)/t15-/m0/s1
InChIKeyHDLOOUNTDUFFJG-HNNXBMFYSA-N
MW351.41 g/mol
LogP2.06
Rot. Bonds5

About 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide

4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide (PubChem CID 125437307) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
PubChem CID125437307
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1)c1ccnn1C
InChIInChI=1S/C19H21N5O2/c1-4-15(17-11-12-20-23(17)2)21-19(26)14-7-5-13(6-8-14)16-9-10-18(25)24(3)22-16/h5-12,15H,4H2,1-3H3,(H,21,26)/t15-/m0/s1
InChIKeyHDLOOUNTDUFFJG-HNNXBMFYSA-N
XLogP2.06
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 125440800
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
CID 125439641
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 125158366
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97203575
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513
4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247394
N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 172665840
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide?
The IUPAC name of 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide (CID 125437307) is 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide.
What is the SMILES notation for 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide?
The canonical SMILES for 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1)c1ccnn1C.
What is the InChIKey of 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide?
The InChIKey is HDLOOUNTDUFFJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-15(17-11-12-20-23(17)2)21-19(26)14-7-5-13(6-8-14)16-9-10-18(25)24(3)22-16/h5-12,15H,4H2,1-3H3,(H,21,26)/t15-/m0/s1.
What are the key properties of 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide?
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide is sourced from PubChem (CID 125437307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).