N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide

C10H16N4O — CID 79285076

IUPACN-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cnn(CC)c1
InChIInChI=1S/C10H16N4O/c1-3-5-11-7-10(15)13-9-6-12-14(4-2)8-9/h3,6,8,11H,1,4-5,7H2,2H3,(H,13,15)
InChIKeyXTDSZFHSNFSDKR-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.62
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide

N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79285076) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79285076
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cnn(CC)c1
InChIInChI=1S/C10H16N4O/c1-3-5-11-7-10(15)13-9-6-12-14(4-2)8-9/h3,6,8,11H,1,4-5,7H2,2H3,(H,13,15)
InChIKeyXTDSZFHSNFSDKR-UHFFFAOYSA-N
XLogP0.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79286309
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961515
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide
CID 86791829
N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285005
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 54901711
2-(1-acetylpiperidin-4-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 92631853
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide (CID 79285076) is N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1cnn(CC)c1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is XTDSZFHSNFSDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-5-11-7-10(15)13-9-6-12-14(4-2)8-9/h3,6,8,11H,1,4-5,7H2,2H3,(H,13,15).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide?
N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 208.26 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).