N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline

C18H19N5 — CID 6794817

IUPACN-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline
SMILES[H]/N=C1\C(=NNc2cccc(C)c2C)C(=C)NN1c1ccccc1
InChIInChI=1S/C18H19N5/c1-12-8-7-11-16(13(12)2)20-21-17-14(3)22-23(18(17)19)15-9-5-4-6-10-15/h4-11,19-20,22H,3H2,1-2H3/b19-18+,21-17?
InChIKeyOGPLYCVMWXZCIF-YLTLTCBFSA-N
MW305.39 g/mol
LogP3.59
Rot. Bonds3

About N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline

N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline (PubChem CID 6794817) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline
PubChem CID6794817
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC NameN-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline
SMILES[H]/N=C1\C(=NNc2cccc(C)c2C)C(=C)NN1c1ccccc1
InChIInChI=1S/C18H19N5/c1-12-8-7-11-16(13(12)2)20-21-17-14(3)22-23(18(17)19)15-9-5-4-6-10-15/h4-11,19-20,22H,3H2,1-2H3/b19-18+,21-17?
InChIKeyOGPLYCVMWXZCIF-YLTLTCBFSA-N
XLogP3.59
TPSA63.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline?
The IUPAC name of N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline (CID 6794817) is N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline.
What is the SMILES notation for N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline?
The canonical SMILES for N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline is [H]/N=C1\C(=NNc2cccc(C)c2C)C(=C)NN1c1ccccc1.
What is the InChIKey of N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline?
The InChIKey is OGPLYCVMWXZCIF-YLTLTCBFSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-8-7-11-16(13(12)2)20-21-17-14(3)22-23(18(17)19)15-9-5-4-6-10-15/h4-11,19-20,22H,3H2,1-2H3/b19-18+,21-17?.
What are the key properties of N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline?
N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline has a molecular weight of 305.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-imino-3-methylidene-1-phenylpyrazolidin-4-ylidene)amino]-2,3-dimethylaniline is sourced from PubChem (CID 6794817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).