N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

C22H24FN3O2 — CID 37397456

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1CC
InChIInChI=1S/C22H24FN3O2/c1-3-21-20(14-25-26(21)19-11-9-18(23)10-12-19)22(27)24-13-16-7-5-6-8-17(16)15-28-4-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,27)
InChIKeyJUEWPPFWTSUGDK-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.04
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 37397456) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID37397456
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1CC
InChIInChI=1S/C22H24FN3O2/c1-3-21-20(14-25-26(21)19-11-9-18(23)10-12-19)22(27)24-13-16-7-5-6-8-17(16)15-28-4-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,27)
InChIKeyJUEWPPFWTSUGDK-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
5-ethyl-1-(4-fluorophenyl)-N'-(2-hydroxybenzoyl)pyrazole-4-carbohydrazide
CID 31978367
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 32637853
1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55596234
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
2-[2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241427
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-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 37397456) is N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is CCOCc1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1CC.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is JUEWPPFWTSUGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-3-21-20(14-25-26(21)19-11-9-18(23)10-12-19)22(27)24-13-16-7-5-6-8-17(16)15-28-4-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,27).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 37397456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).