1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine

C16H18N4O — CID 107386966

IUPAC1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine
SMILESCC(C)c1nn(C)c(Oc2cnc3ccccc3c2)c1N
InChIInChI=1S/C16H18N4O/c1-10(2)15-14(17)16(20(3)19-15)21-12-8-11-6-4-5-7-13(11)18-9-12/h4-10H,17H2,1-3H3
InChIKeyYMRJLURVZUOZOF-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.47
Rot. Bonds3

About 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine

1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine (PubChem CID 107386966) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine
PubChem CID107386966
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine
SMILESCC(C)c1nn(C)c(Oc2cnc3ccccc3c2)c1N
InChIInChI=1S/C16H18N4O/c1-10(2)15-14(17)16(20(3)19-15)21-12-8-11-6-4-5-7-13(11)18-9-12/h4-10H,17H2,1-3H3
InChIKeyYMRJLURVZUOZOF-UHFFFAOYSA-N
XLogP3.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine
CID 66011973
5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 107722643
4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
CID 66013536
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine
CID 66019114
3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde
CID 155416344
2-amino-3-quinolin-3-yloxybenzoic acid
CID 107387664
3-(2,3-dimethylbutan-2-yloxy)quinoline
CID 142318662
(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284
5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66012953
2-quinolin-3-yloxypropanenitrile
CID 107388161
5-ethyl-6-quinolin-3-yloxypyrimidin-4-amine
CID 107388395

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine (CID 107386966) is 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine is CC(C)c1nn(C)c(Oc2cnc3ccccc3c2)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine?
The InChIKey is YMRJLURVZUOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(2)15-14(17)16(20(3)19-15)21-12-8-11-6-4-5-7-13(11)18-9-12/h4-10H,17H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine?
1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine has a molecular weight of 282.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine is sourced from PubChem (CID 107386966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).