N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C18H21N7O — CID 122322066

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1)n1cccn1
InChIInChI=1S/C18H21N7O/c1-13(25-10-4-9-20-25)18(26)22-15-7-5-14(6-8-15)21-17-11-16(24(2)3)12-19-23-17/h4-13H,1-3H3,(H,21,23)(H,22,26)
InChIKeyGDFWRZJHCINMHB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.68
Rot. Bonds6

About N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 122322066) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID122322066
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1)n1cccn1
InChIInChI=1S/C18H21N7O/c1-13(25-10-4-9-20-25)18(26)22-15-7-5-14(6-8-15)21-17-11-16(24(2)3)12-19-23-17/h4-13H,1-3H3,(H,21,23)(H,22,26)
InChIKeyGDFWRZJHCINMHB-UHFFFAOYSA-N
XLogP2.68
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
CID 122321847
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
CID 122321800
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
CID 122322054
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321903
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 122321908
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
CID 122321830

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 122322066) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1)n1cccn1.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is GDFWRZJHCINMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13(25-10-4-9-20-25)18(26)22-15-7-5-14(6-8-15)21-17-11-16(24(2)3)12-19-23-17/h4-13H,1-3H3,(H,21,23)(H,22,26).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 351.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 122322066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).