N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide

C19H17N7O — CID 122292130

IUPACN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C19H17N7O/c27-19(14-25-11-1-2-12-25)22-16-6-4-15(5-7-16)21-17-8-9-18(24-23-17)26-13-3-10-20-26/h1-13H,14H2,(H,21,23)(H,22,27)
InChIKeyQYBHDNMXZCZNHJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.85
Rot. Bonds6

About N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide

N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide (PubChem CID 122292130) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
PubChem CID122292130
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C19H17N7O/c27-19(14-25-11-1-2-12-25)22-16-6-4-15(5-7-16)21-17-8-9-18(24-23-17)26-13-3-10-20-26/h1-13H,14H2,(H,21,23)(H,22,27)
InChIKeyQYBHDNMXZCZNHJ-UHFFFAOYSA-N
XLogP2.85
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
benzyl N-[2-oxo-2-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]anilino]ethyl]carbamate
CID 122292113
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122292158
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122292140
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide
CID 56921644
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylacetamide
CID 122292562
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
1-(2,5-dimethylphenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 16839226
N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
CID 122300366
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122292016

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide (CID 122292130) is N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide?
The InChIKey is QYBHDNMXZCZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c27-19(14-25-11-1-2-12-25)22-16-6-4-15(5-7-16)21-17-8-9-18(24-23-17)26-13-3-10-20-26/h1-13H,14H2,(H,21,23)(H,22,27).
What are the key properties of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide?
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide has a molecular weight of 359.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 122292130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).