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

C16H23N3O2 — CID 43283294

IUPACN-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccccc1Oc1c(CNC(C)C)c(C)nn1C
InChIInChI=1S/C16H23N3O2/c1-11(2)17-10-13-12(3)18-19(4)16(13)21-15-9-7-6-8-14(15)20-5/h6-9,11,17H,10H2,1-5H3
InChIKeyRWCTZVRZQNZTPS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.03
Rot. Bonds6

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

N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 43283294) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID43283294
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccccc1Oc1c(CNC(C)C)c(C)nn1C
InChIInChI=1S/C16H23N3O2/c1-11(2)17-10-13-12(3)18-19(4)16(13)21-15-9-7-6-8-14(15)20-5/h6-9,11,17H,10H2,1-5H3
InChIKeyRWCTZVRZQNZTPS-UHFFFAOYSA-N
XLogP3.03
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283267
N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860855
N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine
CID 115770460
1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817513
N-[[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63070226
(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860866
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 104860868

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 43283294) is N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is COc1ccccc1Oc1c(CNC(C)C)c(C)nn1C.
What is the InChIKey of N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is RWCTZVRZQNZTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)17-10-13-12(3)18-19(4)16(13)21-15-9-7-6-8-14(15)20-5/h6-9,11,17H,10H2,1-5H3.
What are the key properties of N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 43283294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).