4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine

C15H23N5O3S — CID 110132594

IUPAC4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine
SMILESCCn1cc(CN2CCOCC2c2[nH]ncc2S(C)(=O)=O)c(C)n1
InChIInChI=1S/C15H23N5O3S/c1-4-20-9-12(11(2)18-20)8-19-5-6-23-10-13(19)15-14(7-16-17-15)24(3,21)22/h7,9,13H,4-6,8,10H2,1-3H3,(H,16,17)
InChIKeyYVASVLODRGGMSK-UHFFFAOYSA-N
MW353.45 g/mol
LogP0.91
Rot. Bonds5

About 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine (PubChem CID 110132594) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine
PubChem CID110132594
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine
SMILESCCn1cc(CN2CCOCC2c2[nH]ncc2S(C)(=O)=O)c(C)n1
InChIInChI=1S/C15H23N5O3S/c1-4-20-9-12(11(2)18-20)8-19-5-6-23-10-13(19)15-14(7-16-17-15)24(3,21)22/h7,9,13H,4-6,8,10H2,1-3H3,(H,16,17)
InChIKeyYVASVLODRGGMSK-UHFFFAOYSA-N
XLogP0.91
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 124954168
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
CID 125004035
2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid
CID 124960824
1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 124990900
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine
CID 125007028
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124999388
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124955011
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 124988616
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124968176
(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132598
(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
CID 124944669
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine?
The IUPAC name of 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine (CID 110132594) is 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine?
The canonical SMILES for 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine is CCn1cc(CN2CCOCC2c2[nH]ncc2S(C)(=O)=O)c(C)n1.
What is the InChIKey of 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine?
The InChIKey is YVASVLODRGGMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-4-20-9-12(11(2)18-20)8-19-5-6-23-10-13(19)15-14(7-16-17-15)24(3,21)22/h7,9,13H,4-6,8,10H2,1-3H3,(H,16,17).
What are the key properties of 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine?
4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine has a molecular weight of 353.45 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 110132594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).