1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide

C23H27ClN6O — CID 122293069

IUPAC1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)n(-c2ccc(NCCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)nn2)n1
InChIInChI=1S/C23H27ClN6O/c1-16-15-17(2)30(29-16)21-10-9-20(27-28-21)25-13-14-26-22(31)23(11-3-4-12-23)18-5-7-19(24)8-6-18/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,27)(H,26,31)
InChIKeyJPFCGWNKLQKHOQ-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.97
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 122293069) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide
PubChem CID122293069
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)n(-c2ccc(NCCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)nn2)n1
InChIInChI=1S/C23H27ClN6O/c1-16-15-17(2)30(29-16)21-10-9-20(27-28-21)25-13-14-26-22(31)23(11-3-4-12-23)18-5-7-19(24)8-6-18/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,27)(H,26,31)
InChIKeyJPFCGWNKLQKHOQ-UHFFFAOYSA-N
XLogP3.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide
CID 71802086
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3,4-dimethylbenzamide
CID 16654487
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122292993
1-(5-chloro-2-methoxyphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 122292997
1-(2-chloro-4-methylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 122293004
1-(4-chlorophenyl)-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 122294119
1-(3,5-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654464
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-3-carboxamide
CID 122293107
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122293202
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-2-carboxamide
CID 122293129
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122293045

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide (CID 122293069) is 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide is Cc1cc(C)n(-c2ccc(NCCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)nn2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is JPFCGWNKLQKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-16-15-17(2)30(29-16)21-10-9-20(27-28-21)25-13-14-26-22(31)23(11-3-4-12-23)18-5-7-19(24)8-6-18/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,27)(H,26,31).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 122293069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).