N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide

C15H20N4O2 — CID 76952111

IUPACN'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide
SMILESCCCc1ccc(Oc2c(C(N)=NO)c(C)nn2C)cc1
InChIInChI=1S/C15H20N4O2/c1-4-5-11-6-8-12(9-7-11)21-15-13(14(16)18-20)10(2)17-19(15)3/h6-9,20H,4-5H2,1-3H3,(H2,16,18)
InChIKeyQNJDCLXQMWYJGW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.57
Rot. Bonds5

About N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide

N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide (PubChem CID 76952111) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide
PubChem CID76952111
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide
SMILESCCCc1ccc(Oc2c(C(N)=NO)c(C)nn2C)cc1
InChIInChI=1S/C15H20N4O2/c1-4-5-11-6-8-12(9-7-11)21-15-13(14(16)18-20)10(2)17-19(15)3/h6-9,20H,4-5H2,1-3H3,(H2,16,18)
InChIKeyQNJDCLXQMWYJGW-UHFFFAOYSA-N
XLogP2.57
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952346
5-(4-butylphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 115492697
5-[4-(hydroxymethyl)phenoxy]-1,3-dimethylpyrazole-4-carbothioamide
CID 63750941
5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 81345751
5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952252
[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 115492816
5-(2,3-dichlorophenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951926
5-(5-bromo-2-fluorophenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 114673540
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951956
5-(4-chlorophenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63750938
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide (CID 76952111) is N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide is CCCc1ccc(Oc2c(C(N)=NO)c(C)nn2C)cc1.
What is the InChIKey of N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide?
The InChIKey is QNJDCLXQMWYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-5-11-6-8-12(9-7-11)21-15-13(14(16)18-20)10(2)17-19(15)3/h6-9,20H,4-5H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide?
N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide has a molecular weight of 288.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide is sourced from PubChem (CID 76952111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).