4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine

C15H10ClN5 — CID 51003103

IUPAC4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine
SMILESClc1nnc(Nc2ccn[nH]2)c2cc3ccccc3cc12
InChIInChI=1S/C15H10ClN5/c16-14-11-7-9-3-1-2-4-10(9)8-12(11)15(21-20-14)18-13-5-6-17-19-13/h1-8H,(H2,17,18,19,21)
InChIKeyJMVNGIKKZXPWAY-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.90
Rot. Bonds2

About 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine

4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine (PubChem CID 51003103) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine
PubChem CID51003103
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine
SMILESClc1nnc(Nc2ccn[nH]2)c2cc3ccccc3cc12
InChIInChI=1S/C15H10ClN5/c16-14-11-7-9-3-1-2-4-10(9)8-12(11)15(21-20-14)18-13-5-6-17-19-13/h1-8H,(H2,17,18,19,21)
InChIKeyJMVNGIKKZXPWAY-UHFFFAOYSA-N
XLogP3.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine (CID 51003103) is 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine is Clc1nnc(Nc2ccn[nH]2)c2cc3ccccc3cc12.
What is the InChIKey of 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine?
The InChIKey is JMVNGIKKZXPWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c16-14-11-7-9-3-1-2-4-10(9)8-12(11)15(21-20-14)18-13-5-6-17-19-13/h1-8H,(H2,17,18,19,21).
What are the key properties of 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine?
4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine has a molecular weight of 295.73 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-pyrazol-5-yl)benzo[g]phthalazin-1-amine is sourced from PubChem (CID 51003103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).