3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide

C11H14N6 — CID 55104937

IUPAC3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1-n1ccc(C(C)C)n1
InChIInChI=1S/C11H14N6/c1-7(2)8-3-6-17(16-8)11-9(10(12)13)14-4-5-15-11/h3-7H,1-2H3,(H3,12,13)
InChIKeyCEKPWCKWIJRAFQ-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.07
Rot. Bonds3

About 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide

3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide (PubChem CID 55104937) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide
PubChem CID55104937
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1-n1ccc(C(C)C)n1
InChIInChI=1S/C11H14N6/c1-7(2)8-3-6-17(16-8)11-9(10(12)13)14-4-5-15-11/h3-7H,1-2H3,(H3,12,13)
InChIKeyCEKPWCKWIJRAFQ-UHFFFAOYSA-N
XLogP1.07
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide (CID 55104937) is 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1-n1ccc(C(C)C)n1.
What is the InChIKey of 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide?
The InChIKey is CEKPWCKWIJRAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-7(2)8-3-6-17(16-8)11-9(10(12)13)14-4-5-15-11/h3-7H,1-2H3,(H3,12,13).
What are the key properties of 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide?
3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide has a molecular weight of 230.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 55104937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).