2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline

C11H14N4 — CID 166994898

IUPAC2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline
SMILESNc1ccccc1/N=C/CC1=CNNC1
InChIInChI=1S/C11H14N4/c12-10-3-1-2-4-11(10)13-6-5-9-7-14-15-8-9/h1-4,6-7,14-15H,5,8,12H2/b13-6+
InChIKeyLXTWVRJLMBNBJS-AWNIVKPZSA-N
MW202.26 g/mol
LogP1.35
Rot. Bonds3

About 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline

2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline (PubChem CID 166994898) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline
PubChem CID166994898
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline
SMILESNc1ccccc1/N=C/CC1=CNNC1
InChIInChI=1S/C11H14N4/c12-10-3-1-2-4-11(10)13-6-5-9-7-14-15-8-9/h1-4,6-7,14-15H,5,8,12H2/b13-6+
InChIKeyLXTWVRJLMBNBJS-AWNIVKPZSA-N
XLogP1.35
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline?
The IUPAC name of 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline (CID 166994898) is 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline is Nc1ccccc1/N=C/CC1=CNNC1.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline?
The InChIKey is LXTWVRJLMBNBJS-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H14N4/c12-10-3-1-2-4-11(10)13-6-5-9-7-14-15-8-9/h1-4,6-7,14-15H,5,8,12H2/b13-6+.
What are the key properties of 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline?
2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline has a molecular weight of 202.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline is sourced from PubChem (CID 166994898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).