5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine

C13H12N4 — CID 117322043

IUPAC5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine
SMILESCc1nccc2ccc(-c3cc(N)n[nH]3)cc12
InChIInChI=1S/C13H12N4/c1-8-11-6-10(12-7-13(14)17-16-12)3-2-9(11)4-5-15-8/h2-7H,1H3,(H3,14,16,17)
InChIKeyMMYBCUOXJRAWND-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.52
Rot. Bonds1

About 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine

5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine (PubChem CID 117322043) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine
PubChem CID117322043
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine
SMILESCc1nccc2ccc(-c3cc(N)n[nH]3)cc12
InChIInChI=1S/C13H12N4/c1-8-11-6-10(12-7-13(14)17-16-12)3-2-9(11)4-5-15-8/h2-7H,1H3,(H3,14,16,17)
InChIKeyMMYBCUOXJRAWND-UHFFFAOYSA-N
XLogP2.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117304019
1,7-dimethylisoquinoline
CID 59050335
5-(1,3-dimethylindazol-6-yl)-1H-pyrazol-3-amine
CID 117327047
1,6,7-trimethylisoquinoline
CID 138751801
5-(3-chloro-2H-indazol-5-yl)-1H-pyrazol-3-amine
CID 117339568
5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
CID 115111556
5-(3-methylquinoxalin-2-yl)-1H-pyrazol-3-amine
CID 67408304
O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine
CID 117281171
5-(3-ethylphenyl)-1H-pyrazol-3-amine
CID 117280888
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
CID 117309554

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine (CID 117322043) is 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine is Cc1nccc2ccc(-c3cc(N)n[nH]3)cc12.
What is the InChIKey of 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine?
The InChIKey is MMYBCUOXJRAWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-8-11-6-10(12-7-13(14)17-16-12)3-2-9(11)4-5-15-8/h2-7H,1H3,(H3,14,16,17).
What are the key properties of 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine?
5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine has a molecular weight of 224.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117322043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).