5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide

C20H20ClN3O2 — CID 16599389

IUPAC5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCCOc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c21-16-10-8-15(9-11-16)19-18(14-23-24-19)20(25)22-12-4-5-13-26-17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2,(H,22,25)(H,23,24)
InChIKeyTUXAATNXSVTSTR-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.32
Rot. Bonds8

About 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide (PubChem CID 16599389) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
PubChem CID16599389
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCCOc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c21-16-10-8-15(9-11-16)19-18(14-23-24-19)20(25)22-12-4-5-13-26-17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2,(H,22,25)(H,23,24)
InChIKeyTUXAATNXSVTSTR-UHFFFAOYSA-N
XLogP4.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78834599
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide
CID 30544747
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide (CID 16599389) is 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide is O=C(NCCCCOc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is TUXAATNXSVTSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-16-10-8-15(9-11-16)19-18(14-23-24-19)20(25)22-12-4-5-13-26-17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2,(H,22,25)(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 16599389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).