(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine

C9H15N3O — CID 52908184

IUPAC(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CNCCO2)c1
InChIInChI=1S/C9H15N3O/c1-8-4-11-12(6-8)7-9-5-10-2-3-13-9/h4,6,9-10H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyHWQFITQMUYFYKG-VIFPVBQESA-N
MW181.24 g/mol
LogP0.18
Rot. Bonds2

About (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine

(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine (PubChem CID 52908184) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
PubChem CID52908184
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CNCCO2)c1
InChIInChI=1S/C9H15N3O/c1-8-4-11-12(6-8)7-9-5-10-2-3-13-9/h4,6,9-10H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyHWQFITQMUYFYKG-VIFPVBQESA-N
XLogP0.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]ethan-1-amine
CID 62729330
Morpholine, 2-(1H-pyrazol-1-ylmethyl)-
CID 54592633
2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71695337
2-methyl-2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71756151
4-(3-Methylbut-2-enyl)-2-(pyrazol-1-ylmethyl)morpholine
CID 53563079
N-(2-acetamidoethyl)-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53582922
[1-(2-methoxyethyl)-1H-pyrazol-4-yl]methanamine
CID 62729144
2-{[(1-Methyl-1H-pyrazol-4-YL)methyl]-amino}ethanol dihydrochloride
CID 46737003
3-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 82413718
(2-methoxyethyl)[(1-methyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165994202
1-(2-Ethoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53609485
1-ethyl-4-[(pyrrolidin-3-yloxy)methyl]-1H-pyrazole
CID 62328791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine (CID 52908184) is (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine is Cc1cnn(C[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The InChIKey is HWQFITQMUYFYKG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-4-11-12(6-8)7-9-5-10-2-3-13-9/h4,6,9-10H,2-3,5,7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine has a molecular weight of 181.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 52908184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).