N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

C21H22FN3O3 — CID 78834599

IUPACN-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN3O3/c1-27-17-8-4-15(5-9-17)20-19(14-24-25-20)21(26)23-12-2-3-13-28-18-10-6-16(22)7-11-18/h4-11,14H,2-3,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyBVHMGWBFIYWAOO-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.81
Rot. Bonds9

About N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 78834599) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID78834599
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN3O3/c1-27-17-8-4-15(5-9-17)20-19(14-24-25-20)21(26)23-12-2-3-13-28-18-10-6-16(22)7-11-18/h4-11,14H,2-3,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyBVHMGWBFIYWAOO-UHFFFAOYSA-N
XLogP3.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86916114
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
5-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86979261
5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824584
5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
CID 78836646
5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824590
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 78834599) is N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)NCCCCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BVHMGWBFIYWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-27-17-8-4-15(5-9-17)20-19(14-24-25-20)21(26)23-12-2-3-13-28-18-10-6-16(22)7-11-18/h4-11,14H,2-3,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78834599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).