3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one

C19H18ClN5O2 — CID 71697976

IUPAC3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(=O)[nH]n2)n1)N1CCCCC1
InChIInChI=1S/C19H18ClN5O2/c20-14-6-4-13(5-7-14)16-12-15(19(27)24-10-2-1-3-11-24)23-25(16)17-8-9-18(26)22-21-17/h4-9,12H,1-3,10-11H2,(H,22,26)
InChIKeyYOSAOVBTGJFWPT-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.90
Rot. Bonds3

About 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one

3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 71697976) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID71697976
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(=O)[nH]n2)n1)N1CCCCC1
InChIInChI=1S/C19H18ClN5O2/c20-14-6-4-13(5-7-14)16-12-15(19(27)24-10-2-1-3-11-24)23-25(16)17-8-9-18(26)22-21-17/h4-9,12H,1-3,10-11H2,(H,22,26)
InChIKeyYOSAOVBTGJFWPT-UHFFFAOYSA-N
XLogP2.90
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(2-fluorophenyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)-N-hydroxyacetimidamide
CID 46226158
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
CID 23652124
5-(4-Chlorophenyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (12k)
CID 76321035
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 46226081
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 46226082
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-((1-cyanopiperidin-4-yl)methyl)-1H-pyrazole-3-carboxamide
CID 46226287
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
1,5-Bis-(4-chloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 10788693
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 11048627
N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-chlorobenzamide
CID 22180071
5-(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]-1-phenylpyrazole-3-carboxamide
CID 24896636
1,5-bis(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]pyrazole-3-carboxamide
CID 25147743

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one (CID 71697976) is 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one is O=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(=O)[nH]n2)n1)N1CCCCC1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is YOSAOVBTGJFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-14-6-4-13(5-7-14)16-12-15(19(27)24-10-2-1-3-11-24)23-25(16)17-8-9-18(26)22-21-17/h4-9,12H,1-3,10-11H2,(H,22,26).
What are the key properties of 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one?
3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 383.84 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 71697976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).