N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C17H16N4O — CID 67976201

IUPACN-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cn[nH]c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C17H16N4O/c1-10-8-19-21-16(10)13-5-4-12-7-15(18-9-14(12)6-13)20-17(22)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyJBYDCSARJRKKHB-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.28
Rot. Bonds3

About N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67976201) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67976201
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cn[nH]c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C17H16N4O/c1-10-8-19-21-16(10)13-5-4-12-7-15(18-9-14(12)6-13)20-17(22)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyJBYDCSARJRKKHB-UHFFFAOYSA-N
XLogP3.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 67976201) is N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1cn[nH]c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is JBYDCSARJRKKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-10-8-19-21-16(10)13-5-4-12-7-15(18-9-14(12)6-13)20-17(22)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67976201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).