4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide

C20H25Cl2N5O2 — CID 78888150

IUPAC4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C20H25Cl2N5O2/c1-14-12-15(2)27(24-14)7-3-6-23-20(29)26-10-8-25(9-11-26)19(28)17-5-4-16(21)13-18(17)22/h4-5,12-13H,3,6-11H2,1-2H3,(H,23,29)
InChIKeyCEDIZBDWRLXWKV-UHFFFAOYSA-N
MW438.36 g/mol
LogP3.36
Rot. Bonds5

About 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide

4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide (PubChem CID 78888150) has the molecular formula C20H25Cl2N5O2 and a molecular weight of 438.36 g/mol. Its IUPAC name is 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide
PubChem CID78888150
Molecular FormulaC20H25Cl2N5O2
Molecular Weight438.36 g/mol
Exact Mass437.14
IUPAC Name4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C20H25Cl2N5O2/c1-14-12-15(2)27(24-14)7-3-6-23-20(29)26-10-8-25(9-11-26)19(28)17-5-4-16(21)13-18(17)22/h4-5,12-13H,3,6-11H2,1-2H3,(H,23,29)
InChIKeyCEDIZBDWRLXWKV-UHFFFAOYSA-N
XLogP3.36
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
4-[2-(difluoromethoxy)benzoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide
CID 78888146
2,4-dichloro-N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 30954411
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86999451
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
4-[2-(diethylamino)-2-oxoethyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 86999458
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1-(5-chloro-2-piperidin-1-ylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 112824886
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 112803454

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide (CID 78888150) is 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide is Cc1cc(C)n(CCCNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide?
The InChIKey is CEDIZBDWRLXWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5O2/c1-14-12-15(2)27(24-14)7-3-6-23-20(29)26-10-8-25(9-11-26)19(28)17-5-4-16(21)13-18(17)22/h4-5,12-13H,3,6-11H2,1-2H3,(H,23,29).
What are the key properties of 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide?
4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide has a molecular weight of 438.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 78888150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).