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

C18H18N4O — CID 57410359

IUPACN-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1n[nH]c(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C18H18N4O/c1-10-17(11(2)22-21-10)14-6-5-13-8-16(19-9-15(13)7-14)20-18(23)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyZLWXKBJMQVCKHP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.59
Rot. Bonds3

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

N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57410359) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57410359
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1n[nH]c(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C18H18N4O/c1-10-17(11(2)22-21-10)14-6-5-13-8-16(19-9-15(13)7-14)20-18(23)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyZLWXKBJMQVCKHP-UHFFFAOYSA-N
XLogP3.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57410359) is N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1n[nH]c(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is ZLWXKBJMQVCKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-10-17(11(2)22-21-10)14-6-5-13-8-16(19-9-15(13)7-14)20-18(23)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,5-dimethyl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57410359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).