N-(2-ethylpyrazol-3-yl)prop-2-ynamide

C8H9N3O — CID 130680138

IUPACN-(2-ethylpyrazol-3-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccnn1CC
InChIInChI=1S/C8H9N3O/c1-3-8(12)10-7-5-6-9-11(7)4-2/h1,5-6H,4H2,2H3,(H,10,12)
InChIKeyGYUPFHABUOSTBF-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.47
Rot. Bonds2

About N-(2-ethylpyrazol-3-yl)prop-2-ynamide

N-(2-ethylpyrazol-3-yl)prop-2-ynamide (PubChem CID 130680138) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)prop-2-ynamide
PubChem CID130680138
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC NameN-(2-ethylpyrazol-3-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccnn1CC
InChIInChI=1S/C8H9N3O/c1-3-8(12)10-7-5-6-9-11(7)4-2/h1,5-6H,4H2,2H3,(H,10,12)
InChIKeyGYUPFHABUOSTBF-UHFFFAOYSA-N
XLogP0.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylpyrazol-3-yl)propanamide
CID 59069155
N'-(2-ethylpyrazol-3-yl)oxamide
CID 130652356
3-amino-N-(2-ethylpyrazol-3-yl)butanamide
CID 130878664
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
CID 9168666
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
CID 17462093
1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea
CID 139017693
4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919702
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide
CID 130741769
N-(2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 38995701
N-(2-ethylpyrazol-3-yl)benzenesulfonamide
CID 3280271

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)prop-2-ynamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)prop-2-ynamide (CID 130680138) is N-(2-ethylpyrazol-3-yl)prop-2-ynamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)prop-2-ynamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)prop-2-ynamide is C#CC(=O)Nc1ccnn1CC.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)prop-2-ynamide?
The InChIKey is GYUPFHABUOSTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-3-8(12)10-7-5-6-9-11(7)4-2/h1,5-6H,4H2,2H3,(H,10,12).
What are the key properties of N-(2-ethylpyrazol-3-yl)prop-2-ynamide?
N-(2-ethylpyrazol-3-yl)prop-2-ynamide has a molecular weight of 163.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)prop-2-ynamide is sourced from PubChem (CID 130680138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).