4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide

C25H29FN4O3 — CID 166148017

IUPAC4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide
SMILESCc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C25H29FN4O3/c1-19-6-12-23(13-7-19)33-15-14-29(2)25(32)18-30-17-22(16-27-30)28-24(31)5-3-4-20-8-10-21(26)11-9-20/h6-13,16-17H,3-5,14-15,18H2,1-2H3,(H,28,31)
InChIKeyMWQZSMUTINXCHD-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.83
Rot. Bonds11

About 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide

4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide (PubChem CID 166148017) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide
PubChem CID166148017
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide
SMILESCc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C25H29FN4O3/c1-19-6-12-23(13-7-19)33-15-14-29(2)25(32)18-30-17-22(16-27-30)28-24(31)5-3-4-20-8-10-21(26)11-9-20/h6-13,16-17H,3-5,14-15,18H2,1-2H3,(H,28,31)
InChIKeyMWQZSMUTINXCHD-UHFFFAOYSA-N
XLogP3.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide (CID 166148017) is 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide is Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCCc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide?
The InChIKey is MWQZSMUTINXCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-19-6-12-23(13-7-19)33-15-14-29(2)25(32)18-30-17-22(16-27-30)28-24(31)5-3-4-20-8-10-21(26)11-9-20/h6-13,16-17H,3-5,14-15,18H2,1-2H3,(H,28,31).
What are the key properties of 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide?
4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide has a molecular weight of 452.53 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 166148017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).