N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide

C17H23N3O3 — CID 111458426

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C17H23N3O3/c1-13(23-11-14-7-5-4-6-8-14)16(21)18-12-17(2,22)15-9-19-20(3)10-15/h4-10,13,22H,11-12H2,1-3H3,(H,18,21)
InChIKeyQMDJZUUCWWZGPR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.35
Rot. Bonds7

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide (PubChem CID 111458426) 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]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide
PubChem CID111458426
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C17H23N3O3/c1-13(23-11-14-7-5-4-6-8-14)16(21)18-12-17(2,22)15-9-19-20(3)10-15/h4-10,13,22H,11-12H2,1-3H3,(H,18,21)
InChIKeyQMDJZUUCWWZGPR-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458347
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
2-butylsulfanyl-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458559
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-phenylbutyl)urea
CID 111459062
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97087851
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97087853
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
1-[cyclopropyl(phenyl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457983
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine
CID 111657018

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide (CID 111458426) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide?
The InChIKey is QMDJZUUCWWZGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(23-11-14-7-5-4-6-8-14)16(21)18-12-17(2,22)15-9-19-20(3)10-15/h4-10,13,22H,11-12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide has a molecular weight of 317.39 g/mol, XLogP of 1.35, 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]-2-phenylmethoxypropanamide is sourced from PubChem (CID 111458426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).