methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate

C15H23N3O3 — CID 146099959

IUPACmethyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate
SMILESCCn1nc(C(C)C)cc1C(=O)NCC/C=C/C(=O)OC
InChIInChI=1S/C15H23N3O3/c1-5-18-13(10-12(17-18)11(2)3)15(20)16-9-7-6-8-14(19)21-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,20)/b8-6+
InChIKeyQISXSHDEPMNFPW-SOFGYWHQSA-N
MW293.37 g/mol
LogP1.88
Rot. Bonds7

About methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate

methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate (PubChem CID 146099959) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate
PubChem CID146099959
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate
SMILESCCn1nc(C(C)C)cc1C(=O)NCC/C=C/C(=O)OC
InChIInChI=1S/C15H23N3O3/c1-5-18-13(10-12(17-18)11(2)3)15(20)16-9-7-6-8-14(19)21-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,20)/b8-6+
InChIKeyQISXSHDEPMNFPW-SOFGYWHQSA-N
XLogP1.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(5-hydroxy-4-methylpentyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103862380
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 66171515
1-ethyl-3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
CID 103726195
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 61247059
1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70740746
1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449376
(2S,3R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965026

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate?
The IUPAC name of methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate (CID 146099959) is methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate.
What is the SMILES notation for methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate?
The canonical SMILES for methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate is CCn1nc(C(C)C)cc1C(=O)NCC/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate?
The InChIKey is QISXSHDEPMNFPW-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18-13(10-12(17-18)11(2)3)15(20)16-9-7-6-8-14(19)21-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,20)/b8-6+.
What are the key properties of methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate?
methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate has a molecular weight of 293.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pent-2-enoate is sourced from PubChem (CID 146099959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).