N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide

C17H23N3O3 — CID 17023123

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCn2ccc(C)n2)c1
InChIInChI=1S/C17H23N3O3/c1-12-7-9-20(19-12)10-8-17(21)18-13(2)15-11-14(22-3)5-6-16(15)23-4/h5-7,9,11,13H,8,10H2,1-4H3,(H,18,21)
InChIKeySZCKTUHKCWJYEP-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.48
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 17023123) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID17023123
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCn2ccc(C)n2)c1
InChIInChI=1S/C17H23N3O3/c1-12-7-9-20(19-12)10-8-17(21)18-13(2)15-11-14(22-3)5-6-16(15)23-4/h5-7,9,11,13H,8,10H2,1-4H3,(H,18,21)
InChIKeySZCKTUHKCWJYEP-UHFFFAOYSA-N
XLogP2.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19543768
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butanamide
CID 94463951
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 46828934
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 17023123) is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide is COc1ccc(OC)c(C(C)NC(=O)CCn2ccc(C)n2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is SZCKTUHKCWJYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-7-9-20(19-12)10-8-17(21)18-13(2)15-11-14(22-3)5-6-16(15)23-4/h5-7,9,11,13H,8,10H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 17023123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).