1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea

C21H21N5O — CID 43992543

IUPAC1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C21H21N5O/c27-21(22-17-6-2-1-3-7-17)23-18-10-8-16(9-11-18)19-12-13-20(25-24-19)26-14-4-5-15-26/h1-3,6-13H,4-5,14-15H2,(H2,22,23,27)
InChIKeyBGKSCIWADUFRRF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.39
Rot. Bonds4

About 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea

1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea (PubChem CID 43992543) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
PubChem CID43992543
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C21H21N5O/c27-21(22-17-6-2-1-3-7-17)23-18-10-8-16(9-11-18)19-12-13-20(25-24-19)26-14-4-5-15-26/h1-3,6-13H,4-5,14-15H2,(H2,22,23,27)
InChIKeyBGKSCIWADUFRRF-UHFFFAOYSA-N
XLogP4.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43992565
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992587
1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992738
2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 121046314
1-(1,3-benzodioxol-5-yl)-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992554
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 43992993
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dichlorophenyl)urea
CID 43992316

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea (CID 43992543) is 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea?
The InChIKey is BGKSCIWADUFRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(22-17-6-2-1-3-7-17)23-18-10-8-16(9-11-18)19-12-13-20(25-24-19)26-14-4-5-15-26/h1-3,6-13H,4-5,14-15H2,(H2,22,23,27).
What are the key properties of 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea?
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea has a molecular weight of 359.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43992543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).