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

C17H25N3O — CID 43283039

IUPACN-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1C
InChIInChI=1S/C17H25N3O/c1-11(2)18-10-16-14(5)19-20(6)17(16)21-15-8-7-12(3)13(4)9-15/h7-9,11,18H,10H2,1-6H3
InChIKeyUPOCBOABQRRDNA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.64
Rot. Bonds5

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

N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 43283039) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID43283039
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1C
InChIInChI=1S/C17H25N3O/c1-11(2)18-10-16-14(5)19-20(6)17(16)21-15-8-7-12(3)13(4)9-15/h7-9,11,18H,10H2,1-6H3
InChIKeyUPOCBOABQRRDNA-UHFFFAOYSA-N
XLogP3.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.64
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-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283294
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283267
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43282341
N-[[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63070596
1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine
CID 61398675
1-[1,3-dimethyl-5-(3-methyl-4-nitrophenoxy)pyrazol-4-yl]-N-methylmethanamine
CID 61031661
N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine
CID 115770460
1-[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 107666719
N-[[5-(2,5-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 63806712

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 43283039) is N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is Cc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1C.
What is the InChIKey of N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is UPOCBOABQRRDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)18-10-16-14(5)19-20(6)17(16)21-15-8-7-12(3)13(4)9-15/h7-9,11,18H,10H2,1-6H3.
What are the key properties of N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 43283039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).