N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

C7H11N3O — CID 126809556

IUPACN-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-6(11)8-3-2-7-4-9-10-5-7/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyRDAFAZSGJBKPRT-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.09
Rot. Bonds3

About N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 126809556) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID126809556
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-6(11)8-3-2-7-4-9-10-5-7/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyRDAFAZSGJBKPRT-UHFFFAOYSA-N
XLogP0.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 77093843
1-amino-3-[2-(1H-pyrazol-4-yl)ethyl]thiourea
CID 127014953
1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine
CID 130848450
1-methyl-2-[2-(1H-pyrazol-4-yl)ethyl]hydrazine
CID 144949085
4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 154901499
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 77081443
2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide
CID 146086063
1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea
CID 138025676
3-(1H-pyrazol-4-yl)propanamide
CID 22405803
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155939292
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 99970258

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (CID 126809556) is N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is CC(=O)NCCc1cn[nH]c1.
What is the InChIKey of N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is RDAFAZSGJBKPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(11)8-3-2-7-4-9-10-5-7/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10).
What are the key properties of N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 153.18 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 126809556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).