N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine

C12H22N4O — CID 112688776

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCc1cc(CNC(C)CN2CCOCC2)n[nH]1
InChIInChI=1S/C12H22N4O/c1-10-7-12(15-14-10)8-13-11(2)9-16-3-5-17-6-4-16/h7,11,13H,3-6,8-9H2,1-2H3,(H,14,15)
InChIKeySKXJWUXTPYAZNY-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.53
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 112688776) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID112688776
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCc1cc(CNC(C)CN2CCOCC2)n[nH]1
InChIInChI=1S/C12H22N4O/c1-10-7-12(15-14-10)8-13-11(2)9-16-3-5-17-6-4-16/h7,11,13H,3-6,8-9H2,1-2H3,(H,14,15)
InChIKeySKXJWUXTPYAZNY-UHFFFAOYSA-N
XLogP0.53
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine (CID 112688776) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine is Cc1cc(CNC(C)CN2CCOCC2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is SKXJWUXTPYAZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-7-12(15-14-10)8-13-11(2)9-16-3-5-17-6-4-16/h7,11,13H,3-6,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 112688776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).