3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide

C24H27FN4O4 — CID 166148005

IUPAC3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCOc3ccccc3F)cn2)cc1
InChIInChI=1S/C24H27FN4O4/c1-18-7-9-20(10-8-18)32-14-12-28(2)24(31)17-29-16-19(15-26-29)27-23(30)11-13-33-22-6-4-3-5-21(22)25/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,30)
InChIKeyDAHDYEVRYSTROU-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.28
Rot. Bonds11

About 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide

3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 166148005) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
PubChem CID166148005
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCOc3ccccc3F)cn2)cc1
InChIInChI=1S/C24H27FN4O4/c1-18-7-9-20(10-8-18)32-14-12-28(2)24(31)17-29-16-19(15-26-29)27-23(30)11-13-33-22-6-4-3-5-21(22)25/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,30)
InChIKeyDAHDYEVRYSTROU-UHFFFAOYSA-N
XLogP3.28
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654347
3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654431
N-[1-[2-[2-(3,5-difluoro-4-methylphenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-(2-fluoro-4-methylphenoxy)propanamide
CID 171654381
3-[(3-bromo-5-fluoro-4-pyridinyl)oxy]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654551
3-[(2,6-dimethyl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654364
methyl N-[4-[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropoxy]-2-pyridinyl]carbamate
CID 171654504
N-[1-[2-[N-methyl-2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 171654875
3-[(3-fluoro-5-prop-1-en-2-yl-4-pyridinyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654292
N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-[(4-methyl-2-pyridinyl)amino]propanamide
CID 171654521
N-methyl-2-[[3-[[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]amino]-3-oxopropyl]amino]pyrimidine-5-carboxamide
CID 171654288
CID 171654567
CID 171654567
3-[(4-fluoropyrimidin-2-yl)amino]-3-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide
CID 171654365

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide (CID 166148005) is 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide is Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCOc3ccccc3F)cn2)cc1.
What is the InChIKey of 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The InChIKey is DAHDYEVRYSTROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-18-7-9-20(10-8-18)32-14-12-28(2)24(31)17-29-16-19(15-26-29)27-23(30)11-13-33-22-6-4-3-5-21(22)25/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,30).
What are the key properties of 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 454.50 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 166148005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).