N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide

C25H30FN3O3 — CID 46042448

IUPACN,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)N(CC)CC
InChIInChI=1S/C25H30FN3O3/c1-5-22-20(16-17-24(30)28(6-2)7-3)25(32-23-11-9-8-10-21(23)26)29(27-22)18-12-14-19(31-4)15-13-18/h8-15H,5-7,16-17H2,1-4H3
InChIKeyZNPNHUDBAOIMCM-UHFFFAOYSA-N
MW439.53 g/mol
LogP5.18
Rot. Bonds10

About N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide

N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide (PubChem CID 46042448) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide
PubChem CID46042448
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC NameN,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)N(CC)CC
InChIInChI=1S/C25H30FN3O3/c1-5-22-20(16-17-24(30)28(6-2)7-3)25(32-23-11-9-8-10-21(23)26)29(27-22)18-12-14-19(31-4)15-13-18/h8-15H,5-7,16-17H2,1-4H3
InChIKeyZNPNHUDBAOIMCM-UHFFFAOYSA-N
XLogP5.18
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide (CID 46042448) is N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide?
The InChIKey is ZNPNHUDBAOIMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-5-22-20(16-17-24(30)28(6-2)7-3)25(32-23-11-9-8-10-21(23)26)29(27-22)18-12-14-19(31-4)15-13-18/h8-15H,5-7,16-17H2,1-4H3.
What are the key properties of N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide?
N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide has a molecular weight of 439.53 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 46042448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).