5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide

C10H12N6O — CID 118962305

IUPAC5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(OC)n(Cc2cncnc2)n1
InChIInChI=1S/C10H12N6O/c1-17-9-2-8(10(11)12)15-16(9)5-7-3-13-6-14-4-7/h2-4,6H,5H2,1H3,(H3,11,12)
InChIKeyXZVVURWEEHQDLY-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.01
Rot. Bonds4

About 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide

5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide (PubChem CID 118962305) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide.

Molecular Properties

Compound Name5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide
PubChem CID118962305
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(OC)n(Cc2cncnc2)n1
InChIInChI=1S/C10H12N6O/c1-17-9-2-8(10(11)12)15-16(9)5-7-3-13-6-14-4-7/h2-4,6H,5H2,1H3,(H3,11,12)
InChIKeyXZVVURWEEHQDLY-UHFFFAOYSA-N
XLogP0.01
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide?
The IUPAC name of 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide (CID 118962305) is 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide.
What is the SMILES notation for 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide?
The canonical SMILES for 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide is [H]/N=C(\N)c1cc(OC)n(Cc2cncnc2)n1.
What is the InChIKey of 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide?
The InChIKey is XZVVURWEEHQDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-17-9-2-8(10(11)12)15-16(9)5-7-3-13-6-14-4-7/h2-4,6H,5H2,1H3,(H3,11,12).
What are the key properties of 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide?
5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide has a molecular weight of 232.25 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(pyrimidin-5-ylmethyl)pyrazole-3-carboximidamide is sourced from PubChem (CID 118962305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).