N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine

C17H25N3O — CID 43282838

IUPACN-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1
InChIInChI=1S/C17H25N3O/c1-6-14-7-9-15(10-8-14)21-17-16(11-18-12(2)3)13(4)19-20(17)5/h7-10,12,18H,6,11H2,1-5H3
InChIKeyYYYMTTFZUIHCBH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.58
Rot. Bonds6

About N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine

N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 43282838) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID43282838
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1
InChIInChI=1S/C17H25N3O/c1-6-14-7-9-15(10-8-14)21-17-16(11-18-12(2)3)13(4)19-20(17)5/h7-10,12,18H,6,11H2,1-5H3
InChIKeyYYYMTTFZUIHCBH-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283362
N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283039
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283294
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
N-[[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63070596
1-[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 107666719
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283267
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43282981
(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 94821802

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 43282838) is N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is CCc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1.
What is the InChIKey of N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is YYYMTTFZUIHCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-14-7-9-15(10-8-14)21-17-16(11-18-12(2)3)13(4)19-20(17)5/h7-10,12,18H,6,11H2,1-5H3.
What are the key properties of N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 43282838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).