N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide

C20H30N4O2 — CID 167885990

IUPACN-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)N[C@]12CCC[C@H]1CN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C20H30N4O2/c25-18(12-17-8-10-21-23-17)22-20-9-4-7-16(20)13-24(14-20)19(26)11-15-5-2-1-3-6-15/h8,10,15-16H,1-7,9,11-14H2,(H,21,23)(H,22,25)/t16-,20-/m0/s1
InChIKeyWDMLYHCRTNHTQU-JXFKEZNVSA-N
MW358.49 g/mol
LogP2.42
Rot. Bonds5

About N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide

N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 167885990) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID167885990
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)N[C@]12CCC[C@H]1CN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C20H30N4O2/c25-18(12-17-8-10-21-23-17)22-20-9-4-7-16(20)13-24(14-20)19(26)11-15-5-2-1-3-6-15/h8,10,15-16H,1-7,9,11-14H2,(H,21,23)(H,22,25)/t16-,20-/m0/s1
InChIKeyWDMLYHCRTNHTQU-JXFKEZNVSA-N
XLogP2.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide with MolForge

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Related Compounds

1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 138379141
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79139213
1-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 79139388
1-[2-(hydroxymethyl)azepan-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 116636251
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 137342524
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
N-piperidin-3-yl-2-(1H-pyrazol-5-yl)acetamide
CID 112530944
N-[(3-hydroxycyclopentyl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 103279716
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide (CID 167885990) is N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)N[C@]12CCC[C@H]1CN(C(=O)CC1CCCCC1)C2.
What is the InChIKey of N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is WDMLYHCRTNHTQU-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-18(12-17-8-10-21-23-17)22-20-9-4-7-16(20)13-24(14-20)19(26)11-15-5-2-1-3-6-15/h8,10,15-16H,1-7,9,11-14H2,(H,21,23)(H,22,25)/t16-,20-/m0/s1.
What are the key properties of N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide?
N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 167885990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).