N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine

C12H22N4O — CID 78921223

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NCc1ccn(C)n1
InChIInChI=1S/C12H22N4O/c1-11(10-16-5-7-17-8-6-16)13-9-12-3-4-15(2)14-12/h3-4,11,13H,5-10H2,1-2H3
InChIKeyBFKKAMFIZPOQJH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.23
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine

N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 78921223) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID78921223
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NCc1ccn(C)n1
InChIInChI=1S/C12H22N4O/c1-11(10-16-5-7-17-8-6-16)13-9-12-3-4-15(2)14-12/h3-4,11,13H,5-10H2,1-2H3
InChIKeyBFKKAMFIZPOQJH-UHFFFAOYSA-N
XLogP0.23
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771808
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 64801639
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 112688776
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
N-[(1-methylindazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 63000817
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675675
N-[(2-ethylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 115761765

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine (CID 78921223) is N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine is CC(CN1CCOCC1)NCc1ccn(C)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is BFKKAMFIZPOQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(10-16-5-7-17-8-6-16)13-9-12-3-4-15(2)14-12/h3-4,11,13H,5-10H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 78921223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).