3-phenyl-3-pyrazol-1-ylpropanimidamide

C12H14N4 — CID 62778282

IUPAC3-phenyl-3-pyrazol-1-ylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)n1cccn1
InChIInChI=1S/C12H14N4/c13-12(14)9-11(16-8-4-7-15-16)10-5-2-1-3-6-10/h1-8,11H,9H2,(H3,13,14)
InChIKeyNHZKRJFFTDYPHD-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.80
Rot. Bonds4

About 3-phenyl-3-pyrazol-1-ylpropanimidamide

3-phenyl-3-pyrazol-1-ylpropanimidamide (PubChem CID 62778282) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-phenyl-3-pyrazol-1-ylpropanimidamide.

Molecular Properties

Compound Name3-phenyl-3-pyrazol-1-ylpropanimidamide
PubChem CID62778282
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-phenyl-3-pyrazol-1-ylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)n1cccn1
InChIInChI=1S/C12H14N4/c13-12(14)9-11(16-8-4-7-15-16)10-5-2-1-3-6-10/h1-8,11H,9H2,(H3,13,14)
InChIKeyNHZKRJFFTDYPHD-UHFFFAOYSA-N
XLogP1.80
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-pyrazol-1-ylpropanimidamide?
The IUPAC name of 3-phenyl-3-pyrazol-1-ylpropanimidamide (CID 62778282) is 3-phenyl-3-pyrazol-1-ylpropanimidamide.
What is the SMILES notation for 3-phenyl-3-pyrazol-1-ylpropanimidamide?
The canonical SMILES for 3-phenyl-3-pyrazol-1-ylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)n1cccn1.
What is the InChIKey of 3-phenyl-3-pyrazol-1-ylpropanimidamide?
The InChIKey is NHZKRJFFTDYPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-12(14)9-11(16-8-4-7-15-16)10-5-2-1-3-6-10/h1-8,11H,9H2,(H3,13,14).
What are the key properties of 3-phenyl-3-pyrazol-1-ylpropanimidamide?
3-phenyl-3-pyrazol-1-ylpropanimidamide has a molecular weight of 214.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyrazol-1-ylpropanimidamide is sourced from PubChem (CID 62778282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).