methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate

C14H12N4O3 — CID 107346260

IUPACmethyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2nccc3ccc(O)cc23)cc1N
InChIInChI=1S/C14H12N4O3/c1-21-14(20)12-11(15)7-18(17-12)13-10-6-9(19)3-2-8(10)4-5-16-13/h2-7,19H,15H2,1H3
InChIKeyOZGNBQGNTBVXLG-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.49
Rot. Bonds2

About methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate

methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate (PubChem CID 107346260) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate
PubChem CID107346260
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Namemethyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2nccc3ccc(O)cc23)cc1N
InChIInChI=1S/C14H12N4O3/c1-21-14(20)12-11(15)7-18(17-12)13-10-6-9(19)3-2-8(10)4-5-16-13/h2-7,19H,15H2,1H3
InChIKeyOZGNBQGNTBVXLG-UHFFFAOYSA-N
XLogP1.49
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate
CID 107346238
methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate
CID 107346297
methyl 4-amino-1-(4-methylphthalazin-1-yl)pyrazole-3-carboxylate
CID 107346184
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)pyridine-2-carboxylate
CID 107346534
methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
CID 107346189
methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate
CID 107346354
methyl 4-amino-1-[(3-hydroxyphenyl)methyl]pyrazole-3-carboxylate
CID 107344709
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 3-[(7-hydroxyisoquinolin-1-yl)-methylamino]-2-methylpropanoate
CID 106541967
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate (CID 107346260) is methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2nccc3ccc(O)cc23)cc1N.
What is the InChIKey of methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate?
The InChIKey is OZGNBQGNTBVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-21-14(20)12-11(15)7-18(17-12)13-10-6-9(19)3-2-8(10)4-5-16-13/h2-7,19H,15H2,1H3.
What are the key properties of methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate?
methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).