N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide

C17H25N7O — CID 56802070

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)CC2CCCN2c2cccnn2)n(C)n1
InChIInChI=1S/C17H25N7O/c1-13-10-16(23(3)21-13)19-17(25)12-22(2)11-14-6-5-9-24(14)15-7-4-8-18-20-15/h4,7-8,10,14H,5-6,9,11-12H2,1-3H3,(H,19,25)
InChIKeyLWDQWUNILOUZEJ-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.06
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide (PubChem CID 56802070) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
PubChem CID56802070
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)CC2CCCN2c2cccnn2)n(C)n1
InChIInChI=1S/C17H25N7O/c1-13-10-16(23(3)21-13)19-17(25)12-22(2)11-14-6-5-9-24(14)15-7-4-8-18-20-15/h4,7-8,10,14H,5-6,9,11-12H2,1-3H3,(H,19,25)
InChIKeyLWDQWUNILOUZEJ-UHFFFAOYSA-N
XLogP1.06
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide (CID 56802070) is N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide is Cc1cc(NC(=O)CN(C)CC2CCCN2c2cccnn2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
The InChIKey is LWDQWUNILOUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-13-10-16(23(3)21-13)19-17(25)12-22(2)11-14-6-5-9-24(14)15-7-4-8-18-20-15/h4,7-8,10,14H,5-6,9,11-12H2,1-3H3,(H,19,25).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide has a molecular weight of 343.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 56802070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).