N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide

C14H16ClN3O2 — CID 47036478

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c15-12-3-1-4-13(11-12)20-10-7-16-14(19)5-9-18-8-2-6-17-18/h1-4,6,8,11H,5,7,9-10H2,(H,16,19)
InChIKeyNQYWBWRGPPSLPY-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide

N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 47036478) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID47036478
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c15-12-3-1-4-13(11-12)20-10-7-16-14(19)5-9-18-8-2-6-17-18/h1-4,6,8,11H,5,7,9-10H2,(H,16,19)
InChIKeyNQYWBWRGPPSLPY-UHFFFAOYSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[1-(propan-2-yl)-1H-pyrazol-4-yl]acetamide
CID 5299738
2-(2,4-dichlorophenoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 896850
4-(4-{[(3-chlorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507062
US10781181, Example 36
CID 121364612
2-(3-Chloro-4-fluorophenoxy)-1-pyrazolylethan-1-one
CID 2971337
3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47035676
2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 47067309
2-(3-chlorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 49088847
3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 51080837
N-[2-(4-methoxyphenoxy)ethyl]-2-pyrazol-1-ylethanamine
CID 53611493
N-[2-(4-chlorophenoxy)ethyl]-2-pyrazol-1-ylethanamine
CID 53625970
N-[2-(4-fluorophenoxy)ethyl]-2-pyrazol-1-ylethanamine
CID 53626005

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide (CID 47036478) is N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is NQYWBWRGPPSLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-3-1-4-13(11-12)20-10-7-16-14(19)5-9-18-8-2-6-17-18/h1-4,6,8,11H,5,7,9-10H2,(H,16,19).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide?
N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 293.75 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47036478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).