(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

C13H17N5O4S — CID 110132598

IUPAC(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCn1cc(C(=O)N2CCOCC2c2[nH]ncc2S(C)(=O)=O)cn1
InChIInChI=1S/C13H17N5O4S/c1-17-7-9(5-15-17)13(19)18-3-4-22-8-10(18)12-11(6-14-16-12)23(2,20)21/h5-7,10H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyMQSLHPXSNLSLRL-UHFFFAOYSA-N
MW339.38 g/mol
LogP-0.24
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 110132598) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID110132598
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC Name(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCn1cc(C(=O)N2CCOCC2c2[nH]ncc2S(C)(=O)=O)cn1
InChIInChI=1S/C13H17N5O4S/c1-17-7-9(5-15-17)13(19)18-3-4-22-8-10(18)12-11(6-14-16-12)23(2,20)21/h5-7,10H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyMQSLHPXSNLSLRL-UHFFFAOYSA-N
XLogP-0.24
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124999388
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 124988616
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124955011
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124968176
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 124994732
2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid
CID 124960824
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110132430
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine
CID 125007028
1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 124990900

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 110132598) is (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone is Cn1cc(C(=O)N2CCOCC2c2[nH]ncc2S(C)(=O)=O)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is MQSLHPXSNLSLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4S/c1-17-7-9(5-15-17)13(19)18-3-4-22-8-10(18)12-11(6-14-16-12)23(2,20)21/h5-7,10H,3-4,8H2,1-2H3,(H,14,16).
What are the key properties of (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 339.38 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110132598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).