N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide

C23H26FN3O2 — CID 46042751

IUPACN,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
SMILESCCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1
InChIInChI=1S/C23H26FN3O2/c1-4-26(5-2)22(28)16-15-21-17(3)25-27(19-13-11-18(24)12-14-19)23(21)29-20-9-7-6-8-10-20/h6-14H,4-5,15-16H2,1-3H3
InChIKeyMVCLKNGAIDQTTF-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.91
Rot. Bonds8

About N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide

N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide (PubChem CID 46042751) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
PubChem CID46042751
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
SMILESCCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1
InChIInChI=1S/C23H26FN3O2/c1-4-26(5-2)22(28)16-15-21-17(3)25-27(19-13-11-18(24)12-14-19)23(21)29-20-9-7-6-8-10-20/h6-14H,4-5,15-16H2,1-3H3
InChIKeyMVCLKNGAIDQTTF-UHFFFAOYSA-N
XLogP4.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide (CID 46042751) is N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide is CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1.
What is the InChIKey of N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide?
The InChIKey is MVCLKNGAIDQTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-4-26(5-2)22(28)16-15-21-17(3)25-27(19-13-11-18(24)12-14-19)23(21)29-20-9-7-6-8-10-20/h6-14H,4-5,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide?
N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide has a molecular weight of 395.48 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide is sourced from PubChem (CID 46042751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).