N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H24N4OS — CID 129476775

IUPACN-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(Cc1ccsc1)[C@H]1CC12CCNCC2
InChIInChI=1S/C19H24N4OS/c24-18(17-14-2-1-3-15(14)21-22-17)23(11-13-4-9-25-12-13)16-10-19(16)5-7-20-8-6-19/h4,9,12,16,20H,1-3,5-8,10-11H2,(H,21,22)/t16-/m0/s1
InChIKeyUPWHFOBNGODCPR-INIZCTEOSA-N
MW356.50 g/mol
LogP2.74
Rot. Bonds4

About N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 129476775) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID129476775
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(Cc1ccsc1)[C@H]1CC12CCNCC2
InChIInChI=1S/C19H24N4OS/c24-18(17-14-2-1-3-15(14)21-22-17)23(11-13-4-9-25-12-13)16-10-19(16)5-7-20-8-6-19/h4,9,12,16,20H,1-3,5-8,10-11H2,(H,21,22)/t16-/m0/s1
InChIKeyUPWHFOBNGODCPR-INIZCTEOSA-N
XLogP2.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-3-chloro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 129466008
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 128992627
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 129466841
(6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 129466300
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128994657
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 129473894
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 129344233
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 129476775) is N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(c1n[nH]c2c1CCC2)N(Cc1ccsc1)[C@H]1CC12CCNCC2.
What is the InChIKey of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is UPWHFOBNGODCPR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18(17-14-2-1-3-15(14)21-22-17)23(11-13-4-9-25-12-13)16-10-19(16)5-7-20-8-6-19/h4,9,12,16,20H,1-3,5-8,10-11H2,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 129476775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).