(1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine

C21H21N3 — CID 142951331

IUPAC(1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine
SMILESCN/C=C\C=C/Cn1cc(-c2cccc(-c3ccccc3)c2)cn1
InChIInChI=1S/C21H21N3/c1-22-13-6-3-7-14-24-17-21(16-23-24)20-12-8-11-19(15-20)18-9-4-2-5-10-18/h2-13,15-17,22H,14H2,1H3/b7-3-,13-6-
InChIKeyPELXXLCNMHUQBN-NGZUTMLQSA-N
MW315.42 g/mol
LogP4.51
Rot. Bonds6

About (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine

(1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine (PubChem CID 142951331) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine
PubChem CID142951331
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name(1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine
SMILESCN/C=C\C=C/Cn1cc(-c2cccc(-c3ccccc3)c2)cn1
InChIInChI=1S/C21H21N3/c1-22-13-6-3-7-14-24-17-21(16-23-24)20-12-8-11-19(15-20)18-9-4-2-5-10-18/h2-13,15-17,22H,14H2,1H3/b7-3-,13-6-
InChIKeyPELXXLCNMHUQBN-NGZUTMLQSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine (CID 142951331) is (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine is CN/C=C\C=C/Cn1cc(-c2cccc(-c3ccccc3)c2)cn1.
What is the InChIKey of (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine?
The InChIKey is PELXXLCNMHUQBN-NGZUTMLQSA-N. The full InChI is InChI=1S/C21H21N3/c1-22-13-6-3-7-14-24-17-21(16-23-24)20-12-8-11-19(15-20)18-9-4-2-5-10-18/h2-13,15-17,22H,14H2,1H3/b7-3-,13-6-.
What are the key properties of (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine?
(1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine has a molecular weight of 315.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine is sourced from PubChem (CID 142951331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).