N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

C15H23N3O — CID 70741225

IUPACN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c1C
InChIInChI=1S/C15H23N3O/c1-3-12-9(2)14(18-17-12)15(19)16-13-8-7-10-5-4-6-11(10)13/h10-11,13H,3-8H2,1-2H3,(H,16,19)(H,17,18)/t10-,11-,13-/m0/s1
InChIKeyJZLAJJTVSYCMMI-GVXVVHGQSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds3

About N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 70741225) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID70741225
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c1C
InChIInChI=1S/C15H23N3O/c1-3-12-9(2)14(18-17-12)15(19)16-13-8-7-10-5-4-6-11(10)13/h10-11,13H,3-8H2,1-2H3,(H,16,19)(H,17,18)/t10-,11-,13-/m0/s1
InChIKeyJZLAJJTVSYCMMI-GVXVVHGQSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 25161455
N-cyclopentyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163871
N-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832112
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71847289
N-cyclopentyl-3-isopropyl-1H-pyrazole-5-carboxamide
CID 47245095
5-methyl-N~3~-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017365
N-(Propan-2-YL)-1H,4H,5H,6H,7H,8H,9H-cycloocta[C]pyrazole-3-carboxamide
CID 53017383
N-Cyclopropyl-1H,4H,5H,6H,7H,8H,9H-cycloocta[C]pyrazole-3-carboxamide
CID 53017410
N-{[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)pyrrolidin-2-yl]methyl}cyclohexanecarboxamide
CID 70730025
N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71862019
N-[1-(aminomethyl)cyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75513734

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (CID 70741225) is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c1C.
What is the InChIKey of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is JZLAJJTVSYCMMI-GVXVVHGQSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-12-9(2)14(18-17-12)15(19)16-13-8-7-10-5-4-6-11(10)13/h10-11,13H,3-8H2,1-2H3,(H,16,19)(H,17,18)/t10-,11-,13-/m0/s1.
What are the key properties of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70741225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).