[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone

C15H19N3O3S — CID 75470371

IUPAC[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1
InChIInChI=1S/C15H19N3O3S/c1-9-14(10(2)17-16-9)12-7-21-5-4-18(12)15(19)13-6-11(20-3)8-22-13/h6,8,12H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyFUNFCBSYJXBFGD-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.31
Rot. Bonds3

About [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone

[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone (PubChem CID 75470371) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
PubChem CID75470371
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1
InChIInChI=1S/C15H19N3O3S/c1-9-14(10(2)17-16-9)12-7-21-5-4-18(12)15(19)13-6-11(20-3)8-22-13/h6,8,12H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyFUNFCBSYJXBFGD-UHFFFAOYSA-N
XLogP2.31
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone (CID 75470371) is [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1.
What is the InChIKey of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone?
The InChIKey is FUNFCBSYJXBFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-14(10(2)17-16-9)12-7-21-5-4-18(12)15(19)13-6-11(20-3)8-22-13/h6,8,12H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone?
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone has a molecular weight of 321.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 75470371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).