N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide

C21H23FN4O — CID 55629850

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
SMILESCC(Nc1cccc(Cn2cccn2)c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O/c1-16(21(27)23-12-10-17-6-8-19(22)9-7-17)25-20-5-2-4-18(14-20)15-26-13-3-11-24-26/h2-9,11,13-14,16,25H,10,12,15H2,1H3,(H,23,27)
InChIKeyLAJXHLDYMFOZRW-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.23
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide

N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide (PubChem CID 55629850) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
PubChem CID55629850
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
SMILESCC(Nc1cccc(Cn2cccn2)c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O/c1-16(21(27)23-12-10-17-6-8-19(22)9-7-17)25-20-5-2-4-18(14-20)15-26-13-3-11-24-26/h2-9,11,13-14,16,25H,10,12,15H2,1H3,(H,23,27)
InChIKeyLAJXHLDYMFOZRW-UHFFFAOYSA-N
XLogP3.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(pyrazol-1-ylmethyl)anilino]propanoate
CID 56805806
N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629793
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
1-[(4-fluorophenyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea
CID 970237
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide
CID 87033327
tert-butyl N-[2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
CID 103817970
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629877
N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
CID 86831517
1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55931117
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide (CID 55629850) is N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide is CC(Nc1cccc(Cn2cccn2)c1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide?
The InChIKey is LAJXHLDYMFOZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-16(21(27)23-12-10-17-6-8-19(22)9-7-17)25-20-5-2-4-18(14-20)15-26-13-3-11-24-26/h2-9,11,13-14,16,25H,10,12,15H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide?
N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide has a molecular weight of 366.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide is sourced from PubChem (CID 55629850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).