N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine

C16H23N3O — CID 116802284

IUPACN-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
SMILESCCCn1cc(Oc2ccc(CNCC)c(C)c2)cn1
InChIInChI=1S/C16H23N3O/c1-4-8-19-12-16(11-18-19)20-15-7-6-14(10-17-5-2)13(3)9-15/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3
InChIKeyQVDNXKOPKLWJHI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.50
Rot. Bonds7

About N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine

N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine (PubChem CID 116802284) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
PubChem CID116802284
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
SMILESCCCn1cc(Oc2ccc(CNCC)c(C)c2)cn1
InChIInChI=1S/C16H23N3O/c1-4-8-19-12-16(11-18-19)20-15-7-6-14(10-17-5-2)13(3)9-15/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3
InChIKeyQVDNXKOPKLWJHI-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-ethylpyrazol-4-yl)oxy-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 116802120
N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
CID 116803018
[2-bromo-4-(1-propylpyrazol-4-yl)oxyphenyl]methanamine
CID 107275288
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63551836
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
CID 62129324
N-[[6-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methyl]ethanamine
CID 116802960
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine (CID 116802284) is N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine is CCCn1cc(Oc2ccc(CNCC)c(C)c2)cn1.
What is the InChIKey of N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine?
The InChIKey is QVDNXKOPKLWJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-8-19-12-16(11-18-19)20-15-7-6-14(10-17-5-2)13(3)9-15/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3.
What are the key properties of N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine?
N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 116802284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).