5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C19H24N4O2S — CID 129470961

IUPAC5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESC[C@H]1CCc2c(C(=O)N3CCC[C@@H](c4cc(C(N)=O)n[nH]4)C3)csc2C1
InChIInChI=1S/C19H24N4O2S/c1-11-4-5-13-14(10-26-17(13)7-11)19(25)23-6-2-3-12(9-23)15-8-16(18(20)24)22-21-15/h8,10-12H,2-7,9H2,1H3,(H2,20,24)(H,21,22)/t11-,12+/m0/s1
InChIKeyABIGLWJQKFOPRU-NWDGAFQWSA-N
MW372.49 g/mol
LogP2.71
Rot. Bonds3

About 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 129470961) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID129470961
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESC[C@H]1CCc2c(C(=O)N3CCC[C@@H](c4cc(C(N)=O)n[nH]4)C3)csc2C1
InChIInChI=1S/C19H24N4O2S/c1-11-4-5-13-14(10-26-17(13)7-11)19(25)23-6-2-3-12(9-23)15-8-16(18(20)24)22-21-15/h8,10-12H,2-7,9H2,1H3,(H2,20,24)(H,21,22)/t11-,12+/m0/s1
InChIKeyABIGLWJQKFOPRU-NWDGAFQWSA-N
XLogP2.71
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

[3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 132765240
5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514082
(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236486
5-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871669
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514023
(4-ethylpiperazin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236090
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 7872422
ethyl 4-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazine-1-carboxylate
CID 78795941
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 132764173

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 129470961) is 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is C[C@H]1CCc2c(C(=O)N3CCC[C@@H](c4cc(C(N)=O)n[nH]4)C3)csc2C1.
What is the InChIKey of 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ABIGLWJQKFOPRU-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-11-4-5-13-14(10-26-17(13)7-11)19(25)23-6-2-3-12(9-23)15-8-16(18(20)24)22-21-15/h8,10-12H,2-7,9H2,1H3,(H2,20,24)(H,21,22)/t11-,12+/m0/s1.
What are the key properties of 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 129470961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).