N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide

C24H31N7O2 — CID 86894697

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide
SMILESCc1c(NC(=O)C(C)N(C)CC2CCCN2c2cccnn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H31N7O2/c1-17-22(24(33)31(29(17)4)19-10-6-5-7-11-19)26-23(32)18(2)28(3)16-20-12-9-15-30(20)21-13-8-14-25-27-21/h5-8,10-11,13-14,18,20H,9,12,15-16H2,1-4H3,(H,26,32)
InChIKeyQDRZLVNLALRTNS-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.20
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide (PubChem CID 86894697) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide
PubChem CID86894697
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide
SMILESCc1c(NC(=O)C(C)N(C)CC2CCCN2c2cccnn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H31N7O2/c1-17-22(24(33)31(29(17)4)19-10-6-5-7-11-19)26-23(32)18(2)28(3)16-20-12-9-15-30(20)21-13-8-14-25-27-21/h5-8,10-11,13-14,18,20H,9,12,15-16H2,1-4H3,(H,26,32)
InChIKeyQDRZLVNLALRTNS-UHFFFAOYSA-N
XLogP2.20
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide (CID 86894697) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide is Cc1c(NC(=O)C(C)N(C)CC2CCCN2c2cccnn2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide?
The InChIKey is QDRZLVNLALRTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-17-22(24(33)31(29(17)4)19-10-6-5-7-11-19)26-23(32)18(2)28(3)16-20-12-9-15-30(20)21-13-8-14-25-27-21/h5-8,10-11,13-14,18,20H,9,12,15-16H2,1-4H3,(H,26,32).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide has a molecular weight of 449.56 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 86894697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).