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

C16H23N3O2 — CID 43283362

IUPACN-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)17-10-15-12(3)18-19(4)16(15)21-14-8-6-13(20-5)7-9-14/h6-9,11,17H,10H2,1-5H3
InChIKeyMQLPVEMCMFTNQE-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.03
Rot. Bonds6

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

N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 43283362) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID43283362
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)17-10-15-12(3)18-19(4)16(15)21-14-8-6-13(20-5)7-9-14/h6-9,11,17H,10H2,1-5H3
InChIKeyMQLPVEMCMFTNQE-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-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283039
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283294
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283267
1-[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 107666719
N-[[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63070596
(1S)-1-cyclopropyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 52532790
5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole
CID 70868271
(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 94821802
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852
N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine
CID 115770460

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 43283362) is N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is COc1ccc(Oc2c(CNC(C)C)c(C)nn2C)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is MQLPVEMCMFTNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)17-10-15-12(3)18-19(4)16(15)21-14-8-6-13(20-5)7-9-14/h6-9,11,17H,10H2,1-5H3.
What are the key properties of N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(4-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-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 43283362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).