N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide

C15H23N3O2S — CID 40768398

IUPACN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C1CCCC1)C[S@@](=O)C2
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)18-13(11-8-21(20)9-12(11)17-18)16-14(19)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,16,19)/t21-/m1/s1
InChIKeyRAULSRBKYYKGIF-OAQYLSRUSA-N
MW309.44 g/mol
LogP2.53
Rot. Bonds2

About N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide

N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 40768398) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID40768398
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C1CCCC1)C[S@@](=O)C2
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)18-13(11-8-21(20)9-12(11)17-18)16-14(19)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,16,19)/t21-/m1/s1
InChIKeyRAULSRBKYYKGIF-OAQYLSRUSA-N
XLogP2.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide (CID 40768398) is N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide is CC(C)(C)n1nc2c(c1NC(=O)C1CCCC1)C[S@@](=O)C2.
What is the InChIKey of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is RAULSRBKYYKGIF-OAQYLSRUSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2,3)18-13(11-8-21(20)9-12(11)17-18)16-14(19)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,16,19)/t21-/m1/s1.
What are the key properties of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide?
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 40768398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).