[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine

C13H16ClN3O — CID 102723852

IUPAC[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCc1cc(COc2ccc(CN)c(Cl)c2)n(C)n1
InChIInChI=1S/C13H16ClN3O/c1-9-5-11(17(2)16-9)8-18-12-4-3-10(7-15)13(14)6-12/h3-6H,7-8,15H2,1-2H3
InChIKeyBKZBALUWXSKOOF-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.42
Rot. Bonds4

About [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine

[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 102723852) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine
PubChem CID102723852
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCc1cc(COc2ccc(CN)c(Cl)c2)n(C)n1
InChIInChI=1S/C13H16ClN3O/c1-9-5-11(17(2)16-9)8-18-12-4-3-10(7-15)13(14)6-12/h3-6H,7-8,15H2,1-2H3
InChIKeyBKZBALUWXSKOOF-UHFFFAOYSA-N
XLogP2.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine (CID 102723852) is [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine is Cc1cc(COc2ccc(CN)c(Cl)c2)n(C)n1.
What is the InChIKey of [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is BKZBALUWXSKOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-5-11(17(2)16-9)8-18-12-4-3-10(7-15)13(14)6-12/h3-6H,7-8,15H2,1-2H3.
What are the key properties of [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine?
[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 265.74 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 102723852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).