6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine

C14H13ClN4 — CID 106948537

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
SMILESCc1nn(-c2ccc3cnccc3c2N)c(C)c1Cl
InChIInChI=1S/C14H13ClN4/c1-8-13(15)9(2)19(18-8)12-4-3-10-7-17-6-5-11(10)14(12)16/h3-7H,16H2,1-2H3
InChIKeyMQGGYJJTFGFKSY-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.27
Rot. Bonds1

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine (PubChem CID 106948537) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
PubChem CID106948537
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
SMILESCc1nn(-c2ccc3cnccc3c2N)c(C)c1Cl
InChIInChI=1S/C14H13ClN4/c1-8-13(15)9(2)19(18-8)12-4-3-10-7-17-6-5-11(10)14(12)16/h3-7H,16H2,1-2H3
InChIKeyMQGGYJJTFGFKSY-UHFFFAOYSA-N
XLogP3.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine (CID 106948537) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine is Cc1nn(-c2ccc3cnccc3c2N)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine?
The InChIKey is MQGGYJJTFGFKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-8-13(15)9(2)19(18-8)12-4-3-10-7-17-6-5-11(10)14(12)16/h3-7H,16H2,1-2H3.
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine has a molecular weight of 272.74 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine is sourced from PubChem (CID 106948537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).