5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide

C20H17N5O — CID 101124821

IUPAC5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide
SMILESNc1cc(C(=O)Nc2cccc3cnccc23)nn1Cc1ccccc1
InChIInChI=1S/C20H17N5O/c21-19-11-18(24-25(19)13-14-5-2-1-3-6-14)20(26)23-17-8-4-7-15-12-22-10-9-16(15)17/h1-12H,13,21H2,(H,23,26)
InChIKeyRQMNYXHYWAXIPF-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.31
Rot. Bonds4

About 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide

5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide (PubChem CID 101124821) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide
PubChem CID101124821
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide
SMILESNc1cc(C(=O)Nc2cccc3cnccc23)nn1Cc1ccccc1
InChIInChI=1S/C20H17N5O/c21-19-11-18(24-25(19)13-14-5-2-1-3-6-14)20(26)23-17-8-4-7-15-12-22-10-9-16(15)17/h1-12H,13,21H2,(H,23,26)
InChIKeyRQMNYXHYWAXIPF-UHFFFAOYSA-N
XLogP3.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-isoquinolin-5-yl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8763036
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide
CID 114922399
3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369823
4-amino-N-naphthalen-1-ylpyridine-2-carboxamide
CID 62152141
4-amino-3-fluoro-N-isoquinolin-5-ylbenzamide
CID 62677576
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide
CID 62159599
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
(2S)-2-amino-N-isoquinolin-5-yl-2-phenylacetamide
CID 104897242
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide (CID 101124821) is 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide is Nc1cc(C(=O)Nc2cccc3cnccc23)nn1Cc1ccccc1.
What is the InChIKey of 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide?
The InChIKey is RQMNYXHYWAXIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-19-11-18(24-25(19)13-14-5-2-1-3-6-14)20(26)23-17-8-4-7-15-12-22-10-9-16(15)17/h1-12H,13,21H2,(H,23,26).
What are the key properties of 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide?
5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-N-isoquinolin-5-ylpyrazole-3-carboxamide is sourced from PubChem (CID 101124821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).