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

C17H20N4O2 — CID 111458653

IUPAC3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCn1cc(C(C)(O)CNC(=O)CCc2ccc(C#N)cc2)cn1
InChIInChI=1S/C17H20N4O2/c1-17(23,15-10-20-21(2)11-15)12-19-16(22)8-7-13-3-5-14(9-18)6-4-13/h3-6,10-11,23H,7-8,12H2,1-2H3,(H,19,22)
InChIKeyZIAIEEYAXIFAIQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.25
Rot. Bonds6

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

3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide (PubChem CID 111458653) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
PubChem CID111458653
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCn1cc(C(C)(O)CNC(=O)CCc2ccc(C#N)cc2)cn1
InChIInChI=1S/C17H20N4O2/c1-17(23,15-10-20-21(2)11-15)12-19-16(22)8-7-13-3-5-14(9-18)6-4-13/h3-6,10-11,23H,7-8,12H2,1-2H3,(H,19,22)
InChIKeyZIAIEEYAXIFAIQ-UHFFFAOYSA-N
XLogP1.25
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide
CID 111458568
1-(3-cyanophenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457911
1-[(4-cyano-2-fluorophenyl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111459097
1-[2-(4-ethylphenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458114
4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide
CID 111696564
3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458777
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
CID 111458533
3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86916563
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide (CID 111458653) is 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide is Cn1cc(C(C)(O)CNC(=O)CCc2ccc(C#N)cc2)cn1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The InChIKey is ZIAIEEYAXIFAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(23,15-10-20-21(2)11-15)12-19-16(22)8-7-13-3-5-14(9-18)6-4-13/h3-6,10-11,23H,7-8,12H2,1-2H3,(H,19,22).
What are the key properties of 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 111458653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).