6-pyrazol-1-ylpyridine-3-carboximidamide

C9H9N5 — CID 24709329

IUPAC6-pyrazol-1-ylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C9H9N5/c10-9(11)7-2-3-8(12-6-7)14-5-1-4-13-14/h1-6H,(H3,10,11)
InChIKeyAPMYQQRXJDPNKY-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.55
Rot. Bonds2

About 6-pyrazol-1-ylpyridine-3-carboximidamide

6-pyrazol-1-ylpyridine-3-carboximidamide (PubChem CID 24709329) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 6-pyrazol-1-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name6-pyrazol-1-ylpyridine-3-carboximidamide
PubChem CID24709329
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name6-pyrazol-1-ylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C9H9N5/c10-9(11)7-2-3-8(12-6-7)14-5-1-4-13-14/h1-6H,(H3,10,11)
InChIKeyAPMYQQRXJDPNKY-UHFFFAOYSA-N
XLogP0.55
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-pyrazol-1-ylpyridine-3-carboximidamide?
The IUPAC name of 6-pyrazol-1-ylpyridine-3-carboximidamide (CID 24709329) is 6-pyrazol-1-ylpyridine-3-carboximidamide.
What is the SMILES notation for 6-pyrazol-1-ylpyridine-3-carboximidamide?
The canonical SMILES for 6-pyrazol-1-ylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-n2cccn2)nc1.
What is the InChIKey of 6-pyrazol-1-ylpyridine-3-carboximidamide?
The InChIKey is APMYQQRXJDPNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c10-9(11)7-2-3-8(12-6-7)14-5-1-4-13-14/h1-6H,(H3,10,11).
What are the key properties of 6-pyrazol-1-ylpyridine-3-carboximidamide?
6-pyrazol-1-ylpyridine-3-carboximidamide has a molecular weight of 187.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-ylpyridine-3-carboximidamide is sourced from PubChem (CID 24709329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).