N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine

C17H15N5O — CID 135399664

IUPACN-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine
SMILESCn1cc(-c2ccc3c(c2)CN=C3NO)c(-c2ccncc2)n1
InChIInChI=1S/C17H15N5O/c1-22-10-15(16(20-22)11-4-6-18-7-5-11)12-2-3-14-13(8-12)9-19-17(14)21-23/h2-8,10,23H,9H2,1H3,(H,19,21)
InChIKeyRXOAUTDNEHGRQR-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.39
Rot. Bonds2

About N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine

N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine (PubChem CID 135399664) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine.

Molecular Properties

Compound NameN-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine
PubChem CID135399664
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine
SMILESCn1cc(-c2ccc3c(c2)CN=C3NO)c(-c2ccncc2)n1
InChIInChI=1S/C17H15N5O/c1-22-10-15(16(20-22)11-4-6-18-7-5-11)12-2-3-14-13(8-12)9-19-17(14)21-23/h2-8,10,23H,9H2,1H3,(H,19,21)
InChIKeyRXOAUTDNEHGRQR-UHFFFAOYSA-N
XLogP2.39
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine?
The IUPAC name of N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine (CID 135399664) is N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine.
What is the SMILES notation for N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine?
The canonical SMILES for N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine is Cn1cc(-c2ccc3c(c2)CN=C3NO)c(-c2ccncc2)n1.
What is the InChIKey of N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine?
The InChIKey is RXOAUTDNEHGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-22-10-15(16(20-22)11-4-6-18-7-5-11)12-2-3-14-13(8-12)9-19-17(14)21-23/h2-8,10,23H,9H2,1H3,(H,19,21).
What are the key properties of N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine?
N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine has a molecular weight of 305.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3H-isoindol-1-yl]hydroxylamine is sourced from PubChem (CID 135399664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).