3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine

C13H13N5 — CID 103078111

IUPAC3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(Nc2cccc3cnccc23)n1
InChIInChI=1S/C13H13N5/c1-18-8-11(14)13(17-18)16-12-4-2-3-9-7-15-6-5-10(9)12/h2-8H,14H2,1H3,(H,16,17)
InChIKeyDPNQTLWYGABQSZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.29
Rot. Bonds2

About 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine

3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine (PubChem CID 103078111) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine
PubChem CID103078111
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(Nc2cccc3cnccc23)n1
InChIInChI=1S/C13H13N5/c1-18-8-11(14)13(17-18)16-12-4-2-3-9-7-15-6-5-10(9)12/h2-8H,14H2,1H3,(H,16,17)
InChIKeyDPNQTLWYGABQSZ-UHFFFAOYSA-N
XLogP2.29
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
CID 80789594
4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
CID 55011951
5-fluoro-4-N-isoquinolin-5-ylpyrimidine-2,4-diamine
CID 80789073
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
CID 79173234
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80789872
ethane;isoquinolin-5-amine
CID 143675367
4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80789513
5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63752319
4-amino-3-(isoquinolin-5-ylamino)benzonitrile
CID 104711588
4-bromo-5-fluoro-1-N-isoquinolin-5-ylbenzene-1,2-diamine
CID 66111882
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
CID 62869400

Frequently Asked Questions

What is the IUPAC name of 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine (CID 103078111) is 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine is Cn1cc(N)c(Nc2cccc3cnccc23)n1.
What is the InChIKey of 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine?
The InChIKey is DPNQTLWYGABQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-8-11(14)13(17-18)16-12-4-2-3-9-7-15-6-5-10(9)12/h2-8H,14H2,1H3,(H,16,17).
What are the key properties of 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine?
3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine has a molecular weight of 239.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).