N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H17N3OS — CID 121497108

IUPACN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)C1Cc2ccccc2S1
InChIInChI=1S/C16H17N3OS/c20-16(15-8-10-4-1-2-7-14(10)21-15)17-9-13-11-5-3-6-12(11)18-19-13/h1-2,4,7,15H,3,5-6,8-9H2,(H,17,20)(H,18,19)
InChIKeyFUQSOZCXOXVALH-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.23
Rot. Bonds3

About N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 121497108) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID121497108
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)C1Cc2ccccc2S1
InChIInChI=1S/C16H17N3OS/c20-16(15-8-10-4-1-2-7-14(10)21-15)17-9-13-11-5-3-6-12(11)18-19-13/h1-2,4,7,15H,3,5-6,8-9H2,(H,17,20)(H,18,19)
InChIKeyFUQSOZCXOXVALH-UHFFFAOYSA-N
XLogP2.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

1,1-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide
CID 77080680
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60735809
(3R)-2-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124750580
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
(2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 99936470
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 99953268
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55801902

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 121497108) is N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCc1n[nH]c2c1CCC2)C1Cc2ccccc2S1.
What is the InChIKey of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is FUQSOZCXOXVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-16(15-8-10-4-1-2-7-14(10)21-15)17-9-13-11-5-3-6-12(11)18-19-13/h1-2,4,7,15H,3,5-6,8-9H2,(H,17,20)(H,18,19).
What are the key properties of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 121497108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).