5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile

C15H13N5 — CID 63752319

IUPAC5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(Nc2cccc3cnccc23)c1C#N
InChIInChI=1S/C15H13N5/c1-10-13(8-16)15(20(2)19-10)18-14-5-3-4-11-9-17-7-6-12(11)14/h3-7,9,18H,1-2H3
InChIKeyQEEZCMFTHZOLPL-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.89
Rot. Bonds2

About 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile

5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63752319) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63752319
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(Nc2cccc3cnccc23)c1C#N
InChIInChI=1S/C15H13N5/c1-10-13(8-16)15(20(2)19-10)18-14-5-3-4-11-9-17-7-6-12(11)14/h3-7,9,18H,1-2H3
InChIKeyQEEZCMFTHZOLPL-UHFFFAOYSA-N
XLogP2.89
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
CID 43808553
3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine
CID 103078111
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]isoquinolin-5-amine
CID 115742879
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile
CID 43580488
4-amino-3-(isoquinolin-5-ylamino)benzonitrile
CID 104711588
5-(4-chloro-2-iodoanilino)-1,3-dimethylpyrazole-4-carbonitrile
CID 107635265
5-(2-chloro-4-iodoanilino)-1,3-dimethylpyrazole-4-carbonitrile
CID 107606716
5-(5-bromo-2-iodoanilino)-1,3-dimethylpyrazole-4-carbonitrile
CID 114260200
4-bromo-2-(isoquinolin-5-ylamino)benzonitrile
CID 114901487
3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
CID 43808556
N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine
CID 156839455

Frequently Asked Questions

What is the IUPAC name of 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile (CID 63752319) is 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(Nc2cccc3cnccc23)c1C#N.
What is the InChIKey of 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is QEEZCMFTHZOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-10-13(8-16)15(20(2)19-10)18-14-5-3-4-11-9-17-7-6-12(11)14/h3-7,9,18H,1-2H3.
What are the key properties of 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile?
5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63752319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).