2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide

C19H28N4O2 — CID 71921129

IUPAC2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1cc(C(=O)N2CC3CCCC3C2)cn1)NC1CCCCC1
InChIInChI=1S/C19H28N4O2/c24-18(21-17-7-2-1-3-8-17)13-23-12-16(9-20-23)19(25)22-10-14-5-4-6-15(14)11-22/h9,12,14-15,17H,1-8,10-11,13H2,(H,21,24)
InChIKeyUQCYYBZJLKCTEB-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.20
Rot. Bonds4

About 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide

2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide (PubChem CID 71921129) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide
PubChem CID71921129
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1cc(C(=O)N2CC3CCCC3C2)cn1)NC1CCCCC1
InChIInChI=1S/C19H28N4O2/c24-18(21-17-7-2-1-3-8-17)13-23-12-16(9-20-23)19(25)22-10-14-5-4-6-15(14)11-22/h9,12,14-15,17H,1-8,10-11,13H2,(H,21,24)
InChIKeyUQCYYBZJLKCTEB-UHFFFAOYSA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide (CID 71921129) is 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide is O=C(Cn1cc(C(=O)N2CC3CCCC3C2)cn1)NC1CCCCC1.
What is the InChIKey of 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is UQCYYBZJLKCTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(21-17-7-2-1-3-8-17)13-23-12-16(9-20-23)19(25)22-10-14-5-4-6-15(14)11-22/h9,12,14-15,17H,1-8,10-11,13H2,(H,21,24).
What are the key properties of 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide?
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 344.46 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 71921129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).