N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide

C19H19ClN6O — CID 122341455

IUPACN-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C19H19ClN6O/c20-15-3-5-16(6-4-15)21-19(27)26-13-11-25(12-14-26)18-8-7-17(22-23-18)24-9-1-2-10-24/h1-10H,11-14H2,(H,21,27)
InChIKeyJWEJSOFMDXMWTB-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.27
Rot. Bonds3

About N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 122341455) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
PubChem CID122341455
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC NameN-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C19H19ClN6O/c20-15-3-5-16(6-4-15)21-19(27)26-13-11-25(12-14-26)18-8-7-17(22-23-18)24-9-1-2-10-24/h1-10H,11-14H2,(H,21,27)
InChIKeyJWEJSOFMDXMWTB-UHFFFAOYSA-N
XLogP3.27
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336002
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
N-(4-chlorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 50947917
N-(3-chloro-4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341881
[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341570
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334555
4-(6-pyrrol-1-ylpyridazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122341773
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341861
N-(4-methylphenyl)-4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122342274

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide (CID 122341455) is N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is JWEJSOFMDXMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-15-3-5-16(6-4-15)21-19(27)26-13-11-25(12-14-26)18-8-7-17(22-23-18)24-9-1-2-10-24/h1-10H,11-14H2,(H,21,27).
What are the key properties of N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 382.86 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122341455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).