(E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine

C14H15N3 — CID 5389005

IUPAC(E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine
SMILESCc1c(/N=C/C=C/c2ccccc2)cnn1C
InChIInChI=1S/C14H15N3/c1-12-14(11-16-17(12)2)15-10-6-9-13-7-4-3-5-8-13/h3-11H,1-2H3/b9-6+,15-10+
InChIKeyRZKONRBUXFZTJI-UJHPFZFGSA-N
MW225.30 g/mol
LogP3.14
Rot. Bonds3

About (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine

(E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine (PubChem CID 5389005) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine
PubChem CID5389005
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name(E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine
SMILESCc1c(/N=C/C=C/c2ccccc2)cnn1C
InChIInChI=1S/C14H15N3/c1-12-14(11-16-17(12)2)15-10-6-9-13-7-4-3-5-8-13/h3-11H,1-2H3/b9-6+,15-10+
InChIKeyRZKONRBUXFZTJI-UJHPFZFGSA-N
XLogP3.14
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 206697
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CID 797066
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CID 281048
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CID 4362222
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CID 57320331
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CID 16192840
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CID 137946
CID 137946
CID 206694
CID 206694
CID 2764412
CID 2764412
CID 7015036
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CID 43817898
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CID 70783
CID 70783

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine (CID 5389005) is (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine is Cc1c(/N=C/C=C/c2ccccc2)cnn1C.
What is the InChIKey of (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine?
The InChIKey is RZKONRBUXFZTJI-UJHPFZFGSA-N. The full InChI is InChI=1S/C14H15N3/c1-12-14(11-16-17(12)2)15-10-6-9-13-7-4-3-5-8-13/h3-11H,1-2H3/b9-6+,15-10+.
What are the key properties of (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine?
(E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine has a molecular weight of 225.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 5389005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).