2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C14H16ClN3O2 — CID 103856413

IUPAC2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C14H16ClN3O2/c1-9(11-7-16-17-8-11)18-14(19)10(2)20-13-5-3-4-12(15)6-13/h3-10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyTWUYXWAMLWKOSC-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.71
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103856413) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103856413
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C14H16ClN3O2/c1-9(11-7-16-17-8-11)18-14(19)10(2)20-13-5-3-4-12(15)6-13/h3-10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyTWUYXWAMLWKOSC-UHFFFAOYSA-N
XLogP2.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide
CID 51115534
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103856413) is 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is TWUYXWAMLWKOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(11-7-16-17-8-11)18-14(19)10(2)20-13-5-3-4-12(15)6-13/h3-10H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 293.75 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103856413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).