ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate

C10H15N3O2 — CID 103256828

IUPACethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate
SMILESC=C(CNc1ccn(C)n1)C(=O)OCC
InChIInChI=1S/C10H15N3O2/c1-4-15-10(14)8(2)7-11-9-5-6-13(3)12-9/h5-6H,2,4,7H2,1,3H3,(H,11,12)
InChIKeyNWLWSHGQSDRRJX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.95
Rot. Bonds5

About ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate

ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate (PubChem CID 103256828) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate
PubChem CID103256828
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate
SMILESC=C(CNc1ccn(C)n1)C(=O)OCC
InChIInChI=1S/C10H15N3O2/c1-4-15-10(14)8(2)7-11-9-5-6-13(3)12-9/h5-6H,2,4,7H2,1,3H3,(H,11,12)
InChIKeyNWLWSHGQSDRRJX-UHFFFAOYSA-N
XLogP0.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
CID 79778560
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide
CID 79778666
N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779696
ethyl 4-(1-methylpyrazol-3-yl)-2,4-dioxobutanoate
CID 103119226
N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779586
ethyl 2-[(4-methylsulfonylanilino)methyl]prop-2-enoate
CID 103233948
ethyl 2-[(5-chloro-2-methylanilino)methyl]prop-2-enoate
CID 103230537
methyl 4-[(1-methylpyrazol-3-yl)amino]butanoate
CID 79778979
2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 23443606
N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 60810295

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate (CID 103256828) is ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate is C=C(CNc1ccn(C)n1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate?
The InChIKey is NWLWSHGQSDRRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-15-10(14)8(2)7-11-9-5-6-13(3)12-9/h5-6H,2,4,7H2,1,3H3,(H,11,12).
What are the key properties of ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate?
ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate has a molecular weight of 209.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 103256828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).