[4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine

C17H23ClN4O2 — CID 56721078

IUPAC[4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CCOC(CN)C1
InChIInChI=1S/C17H23ClN4O2/c1-12-16(11-22-7-8-23-15(9-19)10-22)17(21(2)20-12)24-14-5-3-13(18)4-6-14/h3-6,15H,7-11,19H2,1-2H3
InChIKeyDSJNXKOXQQYQES-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.33
Rot. Bonds5

About [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine

[4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine (PubChem CID 56721078) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine
PubChem CID56721078
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name[4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CCOC(CN)C1
InChIInChI=1S/C17H23ClN4O2/c1-12-16(11-22-7-8-23-15(9-19)10-22)17(21(2)20-12)24-14-5-3-13(18)4-6-14/h3-6,15H,7-11,19H2,1-2H3
InChIKeyDSJNXKOXQQYQES-UHFFFAOYSA-N
XLogP2.33
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine (CID 56721078) is [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine is Cc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CCOC(CN)C1.
What is the InChIKey of [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine?
The InChIKey is DSJNXKOXQQYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-12-16(11-22-7-8-23-15(9-19)10-22)17(21(2)20-12)24-14-5-3-13(18)4-6-14/h3-6,15H,7-11,19H2,1-2H3.
What are the key properties of [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine?
[4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine has a molecular weight of 350.85 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 56721078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).