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

C16H20ClN3O3 — CID 111519834

IUPAC3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCn1cc(C(C)(O)CNC(=O)CCOc2ccccc2Cl)cn1
InChIInChI=1S/C16H20ClN3O3/c1-16(22,12-9-19-20(2)10-12)11-18-15(21)7-8-23-14-6-4-3-5-13(14)17/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,18,21)
InChIKeyPATJYVPAXXBBMZ-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.87
Rot. Bonds7

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

3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide (PubChem CID 111519834) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
PubChem CID111519834
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCn1cc(C(C)(O)CNC(=O)CCOc2ccccc2Cl)cn1
InChIInChI=1S/C16H20ClN3O3/c1-16(22,12-9-19-20(2)10-12)11-18-15(21)7-8-23-14-6-4-3-5-13(14)17/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,18,21)
InChIKeyPATJYVPAXXBBMZ-UHFFFAOYSA-N
XLogP1.87
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458777
3-(2-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]but-2-enamide
CID 111458486
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
4-[3-(2-chlorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002321
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111519861
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458289
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
3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 108789472
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458653

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide (CID 111519834) is 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide is Cn1cc(C(C)(O)CNC(=O)CCOc2ccccc2Cl)cn1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The InChIKey is PATJYVPAXXBBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-16(22,12-9-19-20(2)10-12)11-18-15(21)7-8-23-14-6-4-3-5-13(14)17/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide has a molecular weight of 337.81 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 111519834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).