2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C17H21N3O2 — CID 75505902

IUPAC2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cn1cc(CCO)cn1)NC1CCCc2ccccc21
InChIInChI=1S/C17H21N3O2/c21-9-8-13-10-18-20(11-13)12-17(22)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,10-11,16,21H,3,5,7-9,12H2,(H,19,22)
InChIKeyUKROZVHWRDAGJF-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 75505902) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID75505902
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cn1cc(CCO)cn1)NC1CCCc2ccccc21
InChIInChI=1S/C17H21N3O2/c21-9-8-13-10-18-20(11-13)12-17(22)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,10-11,16,21H,3,5,7-9,12H2,(H,19,22)
InChIKeyUKROZVHWRDAGJF-UHFFFAOYSA-N
XLogP1.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51142666
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 24587471
2-(6-chloroindazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22510013
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 75505902) is 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(Cn1cc(CCO)cn1)NC1CCCc2ccccc21.
What is the InChIKey of 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is UKROZVHWRDAGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-9-8-13-10-18-20(11-13)12-17(22)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,10-11,16,21H,3,5,7-9,12H2,(H,19,22).
What are the key properties of 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 75505902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).