1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine

C11H12ClN3O — CID 117348138

IUPAC1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(-n2nccc2Cl)cc1
InChIInChI=1S/C11H12ClN3O/c1-16-14-8-9-2-4-10(5-3-9)15-11(12)6-7-13-15/h2-7,14H,8H2,1H3
InChIKeyPIUZRHXFZVZZPP-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.18
Rot. Bonds4

About 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine

1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine (PubChem CID 117348138) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine
PubChem CID117348138
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(-n2nccc2Cl)cc1
InChIInChI=1S/C11H12ClN3O/c1-16-14-8-9-2-4-10(5-3-9)15-11(12)6-7-13-15/h2-7,14H,8H2,1H3
InChIKeyPIUZRHXFZVZZPP-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine (CID 117348138) is 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine is CONCc1ccc(-n2nccc2Cl)cc1.
What is the InChIKey of 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine?
The InChIKey is PIUZRHXFZVZZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-16-14-8-9-2-4-10(5-3-9)15-11(12)6-7-13-15/h2-7,14H,8H2,1H3.
What are the key properties of 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine?
1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine has a molecular weight of 237.69 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117348138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).