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

C7H11N3O — CID 103856248

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-5(10-6(2)11)7-3-8-9-4-7/h3-5H,1-2H3,(H,8,9)(H,10,11)
InChIKeyCWFKSPLGMXTJKG-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.61
Rot. Bonds2

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

N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856248) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856248
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-5(10-6(2)11)7-3-8-9-4-7/h3-5H,1-2H3,(H,8,9)(H,10,11)
InChIKeyCWFKSPLGMXTJKG-UHFFFAOYSA-N
XLogP0.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
CID 103854077
6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
1-butyl-3-[(1S)-1-(1H-pyrazol-4-yl)ethyl]urea
CID 97098545
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
2-fluoro-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 176960189
3,3,3-trifluoro-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967568
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61021666
4,4,4-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 65711586
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide
CID 103310272

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856248) is N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is CWFKSPLGMXTJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(10-6(2)11)7-3-8-9-4-7/h3-5H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 153.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).