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

C9H14N4O — CID 79286309

IUPACN-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cnn(C)c1
InChIInChI=1S/C9H14N4O/c1-3-4-10-6-9(14)12-8-5-11-13(2)7-8/h3,5,7,10H,1,4,6H2,2H3,(H,12,14)
InChIKeyDMNFAKRDGXSSAC-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.13
Rot. Bonds5

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

N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79286309) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79286309
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cnn(C)c1
InChIInChI=1S/C9H14N4O/c1-3-4-10-6-9(14)12-8-5-11-13(2)7-8/h3,5,7,10H,1,4,6H2,2H3,(H,12,14)
InChIKeyDMNFAKRDGXSSAC-UHFFFAOYSA-N
XLogP0.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.13
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-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285076
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
CID 79286305
N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79286058
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285005
3-methyl-N-(1-methylpyrazol-4-yl)but-2-enamide
CID 130157202
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide (CID 79286309) is N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1cnn(C)c1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is DMNFAKRDGXSSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-4-10-6-9(14)12-8-5-11-13(2)7-8/h3,5,7,10H,1,4,6H2,2H3,(H,12,14).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide?
N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 194.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79286309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).