N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine

C17H25N5O — CID 51104772

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(C)c1cccnc1
InChIInChI=1S/C17H25N5O/c1-13(15-5-4-6-18-11-15)19-12-16-14(2)20-21(3)17(16)22-7-9-23-10-8-22/h4-6,11,13,19H,7-10,12H2,1-3H3
InChIKeyQESMRODKFMKECY-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.81
Rot. Bonds5

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 51104772) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID51104772
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(C)c1cccnc1
InChIInChI=1S/C17H25N5O/c1-13(15-5-4-6-18-11-15)19-12-16-14(2)20-21(3)17(16)22-7-9-23-10-8-22/h4-6,11,13,19H,7-10,12H2,1-3H3
InChIKeyQESMRODKFMKECY-UHFFFAOYSA-N
XLogP1.81
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine (CID 51104772) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine is Cc1nn(C)c(N2CCOCC2)c1CNC(C)c1cccnc1.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is QESMRODKFMKECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(15-5-4-6-18-11-15)19-12-16-14(2)20-21(3)17(16)22-7-9-23-10-8-22/h4-6,11,13,19H,7-10,12H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 315.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 51104772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).