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

C16H23N3O — CID 116802269

IUPACN-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2ccc(CNC(C)C)cc2)cn1
InChIInChI=1S/C16H23N3O/c1-4-9-19-12-16(11-18-19)20-15-7-5-14(6-8-15)10-17-13(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3
InChIKeyMLEZMBLTDMVLAA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.58
Rot. Bonds7

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

N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine (PubChem CID 116802269) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
PubChem CID116802269
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2ccc(CNC(C)C)cc2)cn1
InChIInChI=1S/C16H23N3O/c1-4-9-19-12-16(11-18-19)20-15-7-5-14(6-8-15)10-17-13(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3
InChIKeyMLEZMBLTDMVLAA-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116803000
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62440381
N-methyl-1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 116801748
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802209
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 103075179
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine (CID 116802269) is N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine is CCCn1cc(Oc2ccc(CNC(C)C)cc2)cn1.
What is the InChIKey of N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is MLEZMBLTDMVLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-9-19-12-16(11-18-19)20-15-7-5-14(6-8-15)10-17-13(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3.
What are the key properties of N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 116802269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).