1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine

C14H18N4 — CID 11207245

IUPAC1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(/N=C/c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-14(2,3)12-9-13(15)18(17-12)16-10-11-7-5-4-6-8-11/h4-10H,15H2,1-3H3/b16-10+
InChIKeyPDDVMTRUWIQRMO-MHWRWJLKSA-N
MW242.33 g/mol
LogP2.64
Rot. Bonds2

About 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine

1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine (PubChem CID 11207245) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine
PubChem CID11207245
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(/N=C/c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-14(2,3)12-9-13(15)18(17-12)16-10-11-7-5-4-6-8-11/h4-10H,15H2,1-3H3/b16-10+
InChIKeyPDDVMTRUWIQRMO-MHWRWJLKSA-N
XLogP2.64
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine?
The IUPAC name of 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine (CID 11207245) is 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine.
What is the SMILES notation for 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine?
The canonical SMILES for 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine is CC(C)(C)c1cc(N)n(/N=C/c2ccccc2)n1.
What is the InChIKey of 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine?
The InChIKey is PDDVMTRUWIQRMO-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)12-9-13(15)18(17-12)16-10-11-7-5-4-6-8-11/h4-10H,15H2,1-3H3/b16-10+.
What are the key properties of 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine?
1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine has a molecular weight of 242.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-benzylideneamino]-3-tert-butylpyrazol-5-amine is sourced from PubChem (CID 11207245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).