[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone

C19H24N4OS — CID 72905498

IUPAC[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C19H24N4OS/c24-19(16-3-1-15(2-4-16)18-5-8-20-21-18)23-9-6-17(7-10-23)22-11-13-25-14-12-22/h1-5,8,17H,6-7,9-14H2,(H,20,21)
InChIKeyLPGJVCVDHQKKOA-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.73
Rot. Bonds3

About [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone

[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 72905498) has the molecular formula C19H24N4OS and a molecular weight of 356.49 g/mol. Its IUPAC name is [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
PubChem CID72905498
Molecular FormulaC19H24N4OS
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Name[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C19H24N4OS/c24-19(16-3-1-15(2-4-16)18-5-8-20-21-18)23-9-6-17(7-10-23)22-11-13-25-14-12-22/h1-5,8,17H,6-7,9-14H2,(H,20,21)
InChIKeyLPGJVCVDHQKKOA-UHFFFAOYSA-N
XLogP2.73
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone (CID 72905498) is [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCC(N2CCSCC2)CC1.
What is the InChIKey of [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is LPGJVCVDHQKKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-19(16-3-1-15(2-4-16)18-5-8-20-21-18)23-9-6-17(7-10-23)22-11-13-25-14-12-22/h1-5,8,17H,6-7,9-14H2,(H,20,21).
What are the key properties of [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 356.49 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 72905498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).