N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide

C15H18ClN3O2 — CID 19331958

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C15H18ClN3O2/c1-12-5-2-3-6-14(12)21-11-15(20)17-7-4-8-19-10-13(16)9-18-19/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,17,20)
InChIKeyIXFBPJVNKISXSZ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.43
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide

N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide (PubChem CID 19331958) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
PubChem CID19331958
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C15H18ClN3O2/c1-12-5-2-3-6-14(12)21-11-15(20)17-7-4-8-19-10-13(16)9-18-19/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,17,20)
InChIKeyIXFBPJVNKISXSZ-UHFFFAOYSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.43
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

N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
(E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19330271
2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
CID 19295830
N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
CID 4777497
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 51102465
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 19333020
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
CID 118772227
2-[3-(4-chloropyrazol-1-yl)propoxy]benzoic acid
CID 55179546

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide (CID 19331958) is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCCCn1cc(Cl)cn1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is IXFBPJVNKISXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-12-5-2-3-6-14(12)21-11-15(20)17-7-4-8-19-10-13(16)9-18-19/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,17,20).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 19331958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).