N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

C20H15ClN4O — CID 70933679

IUPACN-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)n[nH]1
InChIInChI=1S/C20H15ClN4O/c1-12-10-18(25-24-12)20(26)23-14-6-7-17(21)16(11-14)19-15-5-3-2-4-13(15)8-9-22-19/h2-11H,1H3,(H,23,26)(H,24,25)
InChIKeyMIZQMBBVRKONEN-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.84
Rot. Bonds3

About N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 70933679) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID70933679
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)n[nH]1
InChIInChI=1S/C20H15ClN4O/c1-12-10-18(25-24-12)20(26)23-14-6-7-17(21)16(11-14)19-15-5-3-2-4-13(15)8-9-22-19/h2-11H,1H3,(H,23,26)(H,24,25)
InChIKeyMIZQMBBVRKONEN-UHFFFAOYSA-N
XLogP4.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 70933679) is N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)n[nH]1.
What is the InChIKey of N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is MIZQMBBVRKONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-12-10-18(25-24-12)20(26)23-14-6-7-17(21)16(11-14)19-15-5-3-2-4-13(15)8-9-22-19/h2-11H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70933679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).