(4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one

C14H16N4O — CID 2487531

IUPAC(4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one
SMILESCN1CCC/C1=C1/C(=O)N(c2ccccc2)N=C1N
InChIInChI=1S/C14H16N4O/c1-17-9-5-8-11(17)12-13(15)16-18(14(12)19)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,15,16)/b12-11-
InChIKeyKJGGVQPVYSBVNR-QXMHVHEDSA-N
MW256.31 g/mol
LogP1.29
Rot. Bonds1

About (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one

(4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one (PubChem CID 2487531) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one
PubChem CID2487531
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one
SMILESCN1CCC/C1=C1/C(=O)N(c2ccccc2)N=C1N
InChIInChI=1S/C14H16N4O/c1-17-9-5-8-11(17)12-13(15)16-18(14(12)19)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,15,16)/b12-11-
InChIKeyKJGGVQPVYSBVNR-QXMHVHEDSA-N
XLogP1.29
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one?
The IUPAC name of (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one (CID 2487531) is (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one.
What is the SMILES notation for (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one?
The canonical SMILES for (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one is CN1CCC/C1=C1/C(=O)N(c2ccccc2)N=C1N.
What is the InChIKey of (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one?
The InChIKey is KJGGVQPVYSBVNR-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-9-5-8-11(17)12-13(15)16-18(14(12)19)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,15,16)/b12-11-.
What are the key properties of (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one?
(4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one has a molecular weight of 256.31 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-amino-4-(1-methylpyrrolidin-2-ylidene)-2-phenylpyrazol-3-one is sourced from PubChem (CID 2487531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).