3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine

C13H17N3OS — CID 110132485

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine
SMILESCc1cn[nH]c1C1COCCN1Cc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-10-6-14-15-13(10)12-8-17-4-3-16(12)7-11-2-5-18-9-11/h2,5-6,9,12H,3-4,7-8H2,1H3,(H,14,15)
InChIKeyLXERIJOCYVYTMZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.35
Rot. Bonds3

About 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine

3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine (PubChem CID 110132485) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine
PubChem CID110132485
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine
SMILESCc1cn[nH]c1C1COCCN1Cc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-10-6-14-15-13(10)12-8-17-4-3-16(12)7-11-2-5-18-9-11/h2,5-6,9,12H,3-4,7-8H2,1H3,(H,14,15)
InChIKeyLXERIJOCYVYTMZ-UHFFFAOYSA-N
XLogP2.35
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739548
1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118745947
2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 86776366
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 37799727
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 37799731
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 37799737
(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 38066242
(2R)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 38066244
3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233125
2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233127
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]oxan-4-amine
CID 43778546
1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43779508

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine (CID 110132485) is 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine is Cc1cn[nH]c1C1COCCN1Cc1ccsc1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine?
The InChIKey is LXERIJOCYVYTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-6-14-15-13(10)12-8-17-4-3-16(12)7-11-2-5-18-9-11/h2,5-6,9,12H,3-4,7-8H2,1H3,(H,14,15).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine?
3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine has a molecular weight of 263.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrazol-5-yl)-4-(thiophen-3-ylmethyl)morpholine is sourced from PubChem (CID 110132485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).