N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide

C15H19N3O2 — CID 47352395

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
SMILESCn1cc(CCNC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2/c1-18-12-13(11-17-18)7-9-16-15(19)8-10-20-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,16,19)
InChIKeyILPYRFVRPZPRTQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds7

About N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide (PubChem CID 47352395) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
PubChem CID47352395
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
SMILESCn1cc(CCNC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2/c1-18-12-13(11-17-18)7-9-16-15(19)8-10-20-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,16,19)
InChIKeyILPYRFVRPZPRTQ-UHFFFAOYSA-N
XLogP1.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
4-[4-[[3-(1-methylpyrazol-4-yl)propanoylamino]methyl]phenoxy]butanoic acid
CID 119247210
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 134000599
3-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]benzoic acid
CID 103258287
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide (CID 47352395) is N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide is Cn1cc(CCNC(=O)CCOc2ccccc2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is ILPYRFVRPZPRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-12-13(11-17-18)7-9-16-15(19)8-10-20-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,16,19).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 47352395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).