N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide

C13H14ClN3O2 — CID 91764393

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCCn1cc(Cl)cn1
InChIInChI=1S/C13H14ClN3O2/c14-11-8-16-17(9-11)5-4-15-13(19)7-10-2-1-3-12(18)6-10/h1-3,6,8-9,18H,4-5,7H2,(H,15,19)
InChIKeyIMQHTWFMIDIBBW-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 91764393) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID91764393
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCCn1cc(Cl)cn1
InChIInChI=1S/C13H14ClN3O2/c14-11-8-16-17(9-11)5-4-15-13(19)7-10-2-1-3-12(18)6-10/h1-3,6,8-9,18H,4-5,7H2,(H,15,19)
InChIKeyIMQHTWFMIDIBBW-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide (CID 91764393) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NCCn1cc(Cl)cn1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is IMQHTWFMIDIBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-11-8-16-17(9-11)5-4-15-13(19)7-10-2-1-3-12(18)6-10/h1-3,6,8-9,18H,4-5,7H2,(H,15,19).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 279.73 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 91764393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).