5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide

C15H15N5 — CID 56673556

IUPAC5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide
SMILES[H]/N=C(\N)N1N=C(c2ccccc2)CC1c1ccncc1
InChIInChI=1S/C15H15N5/c16-15(17)20-14(12-6-8-18-9-7-12)10-13(19-20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H3,16,17)
InChIKeyUMWXHHKHCCQXSZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.13
Rot. Bonds2

About 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide

5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 56673556) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID56673556
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide
SMILES[H]/N=C(\N)N1N=C(c2ccccc2)CC1c1ccncc1
InChIInChI=1S/C15H15N5/c16-15(17)20-14(12-6-8-18-9-7-12)10-13(19-20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H3,16,17)
InChIKeyUMWXHHKHCCQXSZ-UHFFFAOYSA-N
XLogP2.13
TPSA78.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.13
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 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide (CID 56673556) is 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide is [H]/N=C(\N)N1N=C(c2ccccc2)CC1c1ccncc1.
What is the InChIKey of 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is UMWXHHKHCCQXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-15(17)20-14(12-6-8-18-9-7-12)10-13(19-20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H3,16,17).
What are the key properties of 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide?
5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 56673556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).