2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide

C17H28N4O2 — CID 86790772

IUPAC2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)NC1CCCCC1n1cccn1
InChIInChI=1S/C17H28N4O2/c1-17(2,23)15-9-5-11-20(15)16(22)19-13-7-3-4-8-14(13)21-12-6-10-18-21/h6,10,12-15,23H,3-5,7-9,11H2,1-2H3,(H,19,22)
InChIKeyLWZWHBCABUUYCD-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.31
Rot. Bonds3

About 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide

2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide (PubChem CID 86790772) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide
PubChem CID86790772
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)NC1CCCCC1n1cccn1
InChIInChI=1S/C17H28N4O2/c1-17(2,23)15-9-5-11-20(15)16(22)19-13-7-3-4-8-14(13)21-12-6-10-18-21/h6,10,12-15,23H,3-5,7-9,11H2,1-2H3,(H,19,22)
InChIKeyLWZWHBCABUUYCD-UHFFFAOYSA-N
XLogP2.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide (CID 86790772) is 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide is CC(C)(O)C1CCCN1C(=O)NC1CCCCC1n1cccn1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide?
The InChIKey is LWZWHBCABUUYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,23)15-9-5-11-20(15)16(22)19-13-7-3-4-8-14(13)21-12-6-10-18-21/h6,10,12-15,23H,3-5,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide?
2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-(2-pyrazol-1-ylcyclohexyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86790772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).