N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide

C16H21N3O2 — CID 110717126

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
SMILESCc1n[nH]c(C)c1CCNC(=O)CCOc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-12-15(13(2)19-18-12)8-10-17-16(20)9-11-21-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFXZGJNZHZIWWEP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide (PubChem CID 110717126) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
PubChem CID110717126
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
SMILESCc1n[nH]c(C)c1CCNC(=O)CCOc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-12-15(13(2)19-18-12)8-10-17-16(20)9-11-21-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFXZGJNZHZIWWEP-UHFFFAOYSA-N
XLogP2.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110685562
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
CID 110395095
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 47000292
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide
CID 91790137
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide (CID 110717126) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide is Cc1n[nH]c(C)c1CCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is FXZGJNZHZIWWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-15(13(2)19-18-12)8-10-17-16(20)9-11-21-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110717126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).