N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide

C15H22N4O2 — CID 165418548

IUPACN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)[C@H]1C[C@H]2CC(=O)NC[C@H]2C1
InChIInChI=1S/C15H22N4O2/c1-8-14(9(2)18-17-8)15(21)19(3)12-4-10-6-13(20)16-7-11(10)5-12/h10-12H,4-7H2,1-3H3,(H,16,20)(H,17,18)/t10-,11+,12-/m0/s1
InChIKeyZGZWOIARKLDHLK-TUAOUCFPSA-N
MW290.37 g/mol
LogP1.01
Rot. Bonds2

About N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide

N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide (PubChem CID 165418548) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
PubChem CID165418548
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)[C@H]1C[C@H]2CC(=O)NC[C@H]2C1
InChIInChI=1S/C15H22N4O2/c1-8-14(9(2)18-17-8)15(21)19(3)12-4-10-6-13(20)16-7-11(10)5-12/h10-12H,4-7H2,1-3H3,(H,16,20)(H,17,18)/t10-,11+,12-/m0/s1
InChIKeyZGZWOIARKLDHLK-TUAOUCFPSA-N
XLogP1.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide (CID 165418548) is N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)[C@H]1C[C@H]2CC(=O)NC[C@H]2C1.
What is the InChIKey of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZGZWOIARKLDHLK-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-8-14(9(2)18-17-8)15(21)19(3)12-4-10-6-13(20)16-7-11(10)5-12/h10-12H,4-7H2,1-3H3,(H,16,20)(H,17,18)/t10-,11+,12-/m0/s1.
What are the key properties of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 165418548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).