3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile

C15H18N4O2 — CID 103566358

IUPAC3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile
SMILESCCCn1nc(C)c(N)c1Oc1cc(C#N)cc(OC)c1
InChIInChI=1S/C15H18N4O2/c1-4-5-19-15(14(17)10(2)18-19)21-13-7-11(9-16)6-12(8-13)20-3/h6-8H,4-5,17H2,1-3H3
InChIKeyQTVLFMSIQPTOJB-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.86
Rot. Bonds5

About 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile

3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile (PubChem CID 103566358) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile
PubChem CID103566358
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile
SMILESCCCn1nc(C)c(N)c1Oc1cc(C#N)cc(OC)c1
InChIInChI=1S/C15H18N4O2/c1-4-5-19-15(14(17)10(2)18-19)21-13-7-11(9-16)6-12(8-13)20-3/h6-8H,4-5,17H2,1-3H3
InChIKeyQTVLFMSIQPTOJB-UHFFFAOYSA-N
XLogP2.86
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028268
5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66027689
5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028842
3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine
CID 66028263
3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566372
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566343
5-(2-chloro-4-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028655
3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568404
5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66027633
3-(2-amino-3-ethoxyphenoxy)-5-methoxybenzonitrile
CID 103566387
5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 116688551
5-(3-bromo-5-fluorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 81322300

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile?
The IUPAC name of 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile (CID 103566358) is 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile.
What is the SMILES notation for 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile?
The canonical SMILES for 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile is CCCn1nc(C)c(N)c1Oc1cc(C#N)cc(OC)c1.
What is the InChIKey of 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile?
The InChIKey is QTVLFMSIQPTOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-5-19-15(14(17)10(2)18-19)21-13-7-11(9-16)6-12(8-13)20-3/h6-8H,4-5,17H2,1-3H3.
What are the key properties of 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile?
3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile has a molecular weight of 286.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methyl-1-propylpyrazol-5-yl)oxy-5-methoxybenzonitrile is sourced from PubChem (CID 103566358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).