O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine

C15H17ClN4O — CID 66859813

IUPACO-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine
SMILESCc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCON
InChIInChI=1S/C15H17ClN4O/c1-10-13(6-8-21-17)15(19(2)18-10)20-7-5-11-9-12(16)3-4-14(11)20/h3-5,7,9H,6,8,17H2,1-2H3
InChIKeyVLIDCBWYJBQHPT-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.76
Rot. Bonds4

About O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine

O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine (PubChem CID 66859813) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine
PubChem CID66859813
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameO-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine
SMILESCc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCON
InChIInChI=1S/C15H17ClN4O/c1-10-13(6-8-21-17)15(19(2)18-10)20-7-5-11-9-12(16)3-4-14(11)20/h3-5,7,9H,6,8,17H2,1-2H3
InChIKeyVLIDCBWYJBQHPT-UHFFFAOYSA-N
XLogP2.76
TPSA58.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine (CID 66859813) is O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine is Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCON.
What is the InChIKey of O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine?
The InChIKey is VLIDCBWYJBQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10-13(6-8-21-17)15(19(2)18-10)20-7-5-11-9-12(16)3-4-14(11)20/h3-5,7,9H,6,8,17H2,1-2H3.
What are the key properties of O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine?
O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine has a molecular weight of 304.78 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[5-(5-chloroindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethyl]hydroxylamine is sourced from PubChem (CID 66859813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).