N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H24N4O — CID 51595424

IUPACN-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCN1CCCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C15H24N4O/c1-2-19-9-4-3-6-11(19)10-16-15(20)14-12-7-5-8-13(12)17-18-14/h11H,2-10H2,1H3,(H,16,20)(H,17,18)/t11-/m0/s1
InChIKeyINMVWTHYUPKDFG-NSHDSACASA-N
MW276.38 g/mol
LogP1.50
Rot. Bonds4

About N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 51595424) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID51595424
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCN1CCCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C15H24N4O/c1-2-19-9-4-3-6-11(19)10-16-15(20)14-12-7-5-8-13(12)17-18-14/h11H,2-10H2,1H3,(H,16,20)(H,17,18)/t11-/m0/s1
InChIKeyINMVWTHYUPKDFG-NSHDSACASA-N
XLogP1.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 51595424) is N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CCN1CCCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is INMVWTHYUPKDFG-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-19-9-4-3-6-11(19)10-16-15(20)14-12-7-5-8-13(12)17-18-14/h11H,2-10H2,1H3,(H,16,20)(H,17,18)/t11-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpiperidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 51595424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).