N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine

C15H22N4O — CID 116802934

IUPACN-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2cccc(CNC(C)C)n2)cn1
InChIInChI=1S/C15H22N4O/c1-4-8-19-11-14(10-17-19)20-15-7-5-6-13(18-15)9-16-12(2)3/h5-7,10-12,16H,4,8-9H2,1-3H3
InChIKeyJUCMMTJKKZUQOK-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.98
Rot. Bonds7

About N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine

N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine (PubChem CID 116802934) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
PubChem CID116802934
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2cccc(CNC(C)C)n2)cn1
InChIInChI=1S/C15H22N4O/c1-4-8-19-11-14(10-17-19)20-15-7-5-6-13(18-15)9-16-12(2)3/h5-7,10-12,16H,4,8-9H2,1-3H3
InChIKeyJUCMMTJKKZUQOK-UHFFFAOYSA-N
XLogP2.98
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 116802957
N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116803000
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
N-[[6-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methyl]ethanamine
CID 116802960
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 102985999
(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893552

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine (CID 116802934) is N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine is CCCn1cc(Oc2cccc(CNC(C)C)n2)cn1.
What is the InChIKey of N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is JUCMMTJKKZUQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-8-19-11-14(10-17-19)20-15-7-5-6-13(18-15)9-16-12(2)3/h5-7,10-12,16H,4,8-9H2,1-3H3.
What are the key properties of N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 116802934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).