[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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Related Compounds

(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 157019570
[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95124482
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 50956041
(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
CID 119070239
(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 77096580
[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95722832
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72838770
[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 72897730
(4-thiomorpholin-4-ylpiperidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72927458
(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72928198
[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97150781

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).