N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide

C17H23N3O3 — CID 111458568

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCC(C)(O)c2cnn(C)c2)c1
InChIInChI=1S/C17H23N3O3/c1-17(22,14-10-19-20(2)11-14)12-18-16(21)8-7-13-5-4-6-15(9-13)23-3/h4-6,9-11,22H,7-8,12H2,1-3H3,(H,18,21)
InChIKeyRYRHIVXCJIYGKT-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.39
Rot. Bonds7

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 111458568) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide
PubChem CID111458568
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCC(C)(O)c2cnn(C)c2)c1
InChIInChI=1S/C17H23N3O3/c1-17(22,14-10-19-20(2)11-14)12-18-16(21)8-7-13-5-4-6-15(9-13)23-3/h4-6,9-11,22H,7-8,12H2,1-3H3,(H,18,21)
InChIKeyRYRHIVXCJIYGKT-UHFFFAOYSA-N
XLogP1.39
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457977
3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458777
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide
CID 111825776
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 111458326
N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
CID 119643172
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
3-(3-methoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 60568816
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide
CID 111458426
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 111458804

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide (CID 111458568) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCC(C)(O)c2cnn(C)c2)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is RYRHIVXCJIYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(22,14-10-19-20(2)11-14)12-18-16(21)8-7-13-5-4-6-15(9-13)23-3/h4-6,9-11,22H,7-8,12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 111458568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).