5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

C17H20N4O2S — CID 100676612

IUPAC5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESCSc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C17H20N4O2S/c1-24-15-8-3-2-6-11(15)17(23)21-9-5-4-7-14(21)12-10-13(16(18)22)20-19-12/h2-3,6,8,10,14H,4-5,7,9H2,1H3,(H2,18,22)(H,19,20)/t14-/m1/s1
InChIKeyLYOSMNJKEODILO-CQSZACIVSA-N
MW344.44 g/mol
LogP2.60
Rot. Bonds4

About 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 100676612) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID100676612
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESCSc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C17H20N4O2S/c1-24-15-8-3-2-6-11(15)17(23)21-9-5-4-7-14(21)12-10-13(16(18)22)20-19-12/h2-3,6,8,10,14H,4-5,7,9H2,1H3,(H2,18,22)(H,19,20)/t14-/m1/s1
InChIKeyLYOSMNJKEODILO-CQSZACIVSA-N
XLogP2.60
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676203
5-[(2R)-1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677325
5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676115
5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677443
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 112810410
[2-(2-chloroethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79205658
(2-methylsulfanylphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 79213916
[2-(chloromethyl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 116639289
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
(4aR,8aS)-4-(2-methylsulfanylbenzoyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 99841195
2-[(2S)-1-(2-aminobenzoyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029868
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268834

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 100676612) is 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is CSc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)n[nH]1.
What is the InChIKey of 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is LYOSMNJKEODILO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-24-15-8-3-2-6-11(15)17(23)21-9-5-4-7-14(21)12-10-13(16(18)22)20-19-12/h2-3,6,8,10,14H,4-5,7,9H2,1H3,(H2,18,22)(H,19,20)/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 100676612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).