N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide

C9H15N3O2 — CID 157036975

IUPACN-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
SMILESCCn1cc(C(O)CNC(C)=O)cn1
InChIInChI=1S/C9H15N3O2/c1-3-12-6-8(4-11-12)9(14)5-10-7(2)13/h4,6,9,14H,3,5H2,1-2H3,(H,10,13)
InChIKeyZRKVXQUUSZVGDU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.07
Rot. Bonds4

About N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide

N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide (PubChem CID 157036975) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
PubChem CID157036975
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
SMILESCCn1cc(C(O)CNC(C)=O)cn1
InChIInChI=1S/C9H15N3O2/c1-3-12-6-8(4-11-12)9(14)5-10-7(2)13/h4,6,9,14H,3,5H2,1-2H3,(H,10,13)
InChIKeyZRKVXQUUSZVGDU-UHFFFAOYSA-N
XLogP0.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide?
The IUPAC name of N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide (CID 157036975) is N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide is CCn1cc(C(O)CNC(C)=O)cn1.
What is the InChIKey of N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide?
The InChIKey is ZRKVXQUUSZVGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-12-6-8(4-11-12)9(14)5-10-7(2)13/h4,6,9,14H,3,5H2,1-2H3,(H,10,13).
What are the key properties of N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide?
N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide has a molecular weight of 197.24 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 157036975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).