N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

C17H22FN3O2 — CID 31889145

IUPACN-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1CC
InChIInChI=1S/C17H22FN3O2/c1-3-16-15(17(22)19-10-5-11-23-4-2)12-20-21(16)14-8-6-13(18)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyGUBWECRMVZYYMV-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.73
Rot. Bonds8

About N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 31889145) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID31889145
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1CC
InChIInChI=1S/C17H22FN3O2/c1-3-16-15(17(22)19-10-5-11-23-4-2)12-20-21(16)14-8-6-13(18)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyGUBWECRMVZYYMV-UHFFFAOYSA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.73
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-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 37397456
2-[2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241427
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55952465
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
methyl (2S)-2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 87040238
5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 31889145) is N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is CCOCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1CC.
What is the InChIKey of N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is GUBWECRMVZYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-3-16-15(17(22)19-10-5-11-23-4-2)12-20-21(16)14-8-6-13(18)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 31889145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).