2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide

C11H13N5O — CID 82253313

IUPAC2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCc1cnn(C)c1
InChIInChI=1S/C11H13N5O/c1-16-6-8(5-15-16)7-17-11-9(10(12)13)3-2-4-14-11/h2-6H,7H2,1H3,(H3,12,13)
InChIKeyIZNQPRXJEQGEKM-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.68
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide

2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide (PubChem CID 82253313) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
PubChem CID82253313
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCc1cnn(C)c1
InChIInChI=1S/C11H13N5O/c1-16-6-8(5-15-16)7-17-11-9(10(12)13)3-2-4-14-11/h2-6H,7H2,1H3,(H3,12,13)
InChIKeyIZNQPRXJEQGEKM-UHFFFAOYSA-N
XLogP0.68
TPSA89.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.68
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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Related Compounds

2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
CID 61385303
2-hexoxypyridine-3-carboximidamide
CID 29002899
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(1-methylpyrazol-4-yl)methoxy]pyridine
CID 82245596
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
CID 80513561
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide (CID 82253313) is 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1OCc1cnn(C)c1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide?
The InChIKey is IZNQPRXJEQGEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-6-8(5-15-16)7-17-11-9(10(12)13)3-2-4-14-11/h2-6H,7H2,1H3,(H3,12,13).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide?
2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide has a molecular weight of 231.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 82253313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).