(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol

C24H37N5O4 — CID 142618045

IUPAC(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cn1nccc1-c1ccccc1.NN/C(C(=O)O)=C(\N)OC1CCCCC1
InChIInChI=1S/C15H20N2O.C9H17N3O3/c1-3-15(18,4-2)12-17-14(10-11-16-17)13-8-6-5-7-9-13;10-8(7(12-11)9(13)14)15-6-4-2-1-3-5-6/h5-11,18H,3-4,12H2,1-2H3;6,12H,1-5,10-11H2,(H,13,14)/b;8-7+
InChIKeyURRJBJYDGLUEQU-ILHSMLOTSA-N
MW459.59 g/mol
LogP3.11
Rot. Bonds9

About (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol

(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol (PubChem CID 142618045) has the molecular formula C24H37N5O4 and a molecular weight of 459.59 g/mol. Its IUPAC name is (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol
PubChem CID142618045
Molecular FormulaC24H37N5O4
Molecular Weight459.59 g/mol
Exact Mass459.28
IUPAC Name(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cn1nccc1-c1ccccc1.NN/C(C(=O)O)=C(\N)OC1CCCCC1
InChIInChI=1S/C15H20N2O.C9H17N3O3/c1-3-15(18,4-2)12-17-14(10-11-16-17)13-8-6-5-7-9-13;10-8(7(12-11)9(13)14)15-6-4-2-1-3-5-6/h5-11,18H,3-4,12H2,1-2H3;6,12H,1-5,10-11H2,(H,13,14)/b;8-7+
InChIKeyURRJBJYDGLUEQU-ILHSMLOTSA-N
XLogP3.11
TPSA148.65 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol 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

(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-phenyl-5-propan-2-yl-1H-pyrazole
CID 142618531
(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;N,N-dimethyl-3-phenoxypropan-1-amine
CID 142618099
(E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid
CID 142618300
cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate
CID 142194176
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
(E)-3-amino-3-[4-cyano-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-hydrazinylprop-2-enoic acid
CID 142617885
N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46491033
ethyl (E)-2-amino-3-cyclohexyloxy-3-hydrazinylprop-2-enoate
CID 163227837
cyclohexyl 2-(benzotriazol-1-yl)acetate
CID 102603743
cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 132551637
cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate
CID 59093478
cyclohexyl 2-(4-phenylphenoxy)propanoate
CID 23961617

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol?
The IUPAC name of (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol (CID 142618045) is (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol.
What is the SMILES notation for (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol?
The canonical SMILES for (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol is CCC(O)(CC)Cn1nccc1-c1ccccc1.NN/C(C(=O)O)=C(\N)OC1CCCCC1.
What is the InChIKey of (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol?
The InChIKey is URRJBJYDGLUEQU-ILHSMLOTSA-N. The full InChI is InChI=1S/C15H20N2O.C9H17N3O3/c1-3-15(18,4-2)12-17-14(10-11-16-17)13-8-6-5-7-9-13;10-8(7(12-11)9(13)14)15-6-4-2-1-3-5-6/h5-11,18H,3-4,12H2,1-2H3;6,12H,1-5,10-11H2,(H,13,14)/b;8-7+.
What are the key properties of (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol?
(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol has a molecular weight of 459.59 g/mol, XLogP of 3.11, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol is sourced from PubChem (CID 142618045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).