(Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid

C11H17N3O2 — CID 107463762

IUPAC(Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid
SMILESCCc1nn(C)cc1NC/C=C(/C)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-9-10(7-14(3)13-9)12-6-5-8(2)11(15)16/h5,7,12H,4,6H2,1-3H3,(H,15,16)/b8-5-
InChIKeyXFOSNYZNIICUST-YVMONPNESA-N
MW223.28 g/mol
LogP1.43
Rot. Bonds5

About (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid

(Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid (PubChem CID 107463762) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid
PubChem CID107463762
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid
SMILESCCc1nn(C)cc1NC/C=C(/C)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-9-10(7-14(3)13-9)12-6-5-8(2)11(15)16/h5,7,12H,4,6H2,1-3H3,(H,15,16)/b8-5-
InChIKeyXFOSNYZNIICUST-YVMONPNESA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 107462767
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
CID 103908973
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(4-methylphenyl)acetamide
CID 107462786
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 107463799
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 107464162
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid (CID 107463762) is (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid is CCc1nn(C)cc1NC/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid?
The InChIKey is XFOSNYZNIICUST-YVMONPNESA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-9-10(7-14(3)13-9)12-6-5-8(2)11(15)16/h5,7,12H,4,6H2,1-3H3,(H,15,16)/b8-5-.
What are the key properties of (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid?
(Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 107463762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).