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

C18H23N3O3 — CID 111458289

IUPAC2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2ccccc2OCC2CC2)cn1
InChIInChI=1S/C18H23N3O3/c1-18(23,14-9-20-21(2)10-14)12-19-17(22)15-5-3-4-6-16(15)24-11-13-7-8-13/h3-6,9-10,13,23H,7-8,11-12H2,1-2H3,(H,19,22)
InChIKeyNADIFOUSFWAJDE-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.85
Rot. Bonds7

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

2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 111458289) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID111458289
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2ccccc2OCC2CC2)cn1
InChIInChI=1S/C18H23N3O3/c1-18(23,14-9-20-21(2)10-14)12-19-17(22)15-5-3-4-6-16(15)24-11-13-7-8-13/h3-6,9-10,13,23H,7-8,11-12H2,1-2H3,(H,19,22)
InChIKeyNADIFOUSFWAJDE-UHFFFAOYSA-N
XLogP1.85
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dimethylbenzamide
CID 111458743
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458347
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458777
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111519834
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458419

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (CID 111458289) is 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is Cn1cc(C(C)(O)CNC(=O)c2ccccc2OCC2CC2)cn1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is NADIFOUSFWAJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(23,14-9-20-21(2)10-14)12-19-17(22)15-5-3-4-6-16(15)24-11-13-7-8-13/h3-6,9-10,13,23H,7-8,11-12H2,1-2H3,(H,19,22).
What are the key properties of 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 111458289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).