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

C17H25N5O2 — CID 51104997

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2cccnc2N2CCOCC2)c(C)nn1C
InChIInChI=1S/C17H25N5O2/c1-13-15(17(23-3)21(2)20-13)12-18-11-14-5-4-6-19-16(14)22-7-9-24-10-8-22/h4-6,18H,7-12H2,1-3H3
InChIKeyQUPVVMXASXUFMQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.26
Rot. Bonds6

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

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine (PubChem CID 51104997) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
PubChem CID51104997
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2cccnc2N2CCOCC2)c(C)nn1C
InChIInChI=1S/C17H25N5O2/c1-13-15(17(23-3)21(2)20-13)12-18-11-14-5-4-6-19-16(14)22-7-9-24-10-8-22/h4-6,18H,7-12H2,1-3H3
InChIKeyQUPVVMXASXUFMQ-UHFFFAOYSA-N
XLogP1.26
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine (CID 51104997) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine is COc1c(CNCc2cccnc2N2CCOCC2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The InChIKey is QUPVVMXASXUFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-15(17(23-3)21(2)20-13)12-18-11-14-5-4-6-19-16(14)22-7-9-24-10-8-22/h4-6,18H,7-12H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine has a molecular weight of 331.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 51104997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).