N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide

C19H25N3O3 — CID 111478508

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide
SMILESCC(C)=CCOc1cccc(C(=O)NCC(C)(O)c2cnn(C)c2)c1
InChIInChI=1S/C19H25N3O3/c1-14(2)8-9-25-17-7-5-6-15(10-17)18(23)20-13-19(3,24)16-11-21-22(4)12-16/h5-8,10-12,24H,9,13H2,1-4H3,(H,20,23)
InChIKeyYRBLCEJEXIZUCP-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.40
Rot. Bonds7

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide (PubChem CID 111478508) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide
PubChem CID111478508
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide
SMILESCC(C)=CCOc1cccc(C(=O)NCC(C)(O)c2cnn(C)c2)c1
InChIInChI=1S/C19H25N3O3/c1-14(2)8-9-25-17-7-5-6-15(10-17)18(23)20-13-19(3,24)16-11-21-22(4)12-16/h5-8,10-12,24H,9,13H2,1-4H3,(H,20,23)
InChIKeyYRBLCEJEXIZUCP-UHFFFAOYSA-N
XLogP2.40
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 111458804
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
N-methyl-3-(3-methylbut-2-enoxy)benzamide
CID 86992210
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dimethylbenzamide
CID 111458743
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111519861
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide
CID 111458568
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111458491
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide (CID 111478508) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide is CC(C)=CCOc1cccc(C(=O)NCC(C)(O)c2cnn(C)c2)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide?
The InChIKey is YRBLCEJEXIZUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)8-9-25-17-7-5-6-15(10-17)18(23)20-13-19(3,24)16-11-21-22(4)12-16/h5-8,10-12,24H,9,13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.40, 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-methylbut-2-enoxy)benzamide is sourced from PubChem (CID 111478508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).